Geometry & MOs

Info

ID:	432908
PubChem CID:	135173045
Reduced:	O2N7C22H27 (1)
Stoich.:	A2B7C22D27 (1)
Weight, g/mol:	834.507069
ΔH_f, kcal/mol:	72.48
Dipole, Da:	7.54
IP(EA), eV:	-8.33(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-hydroxy-5-[3-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]spiro[5.5]undecan-3-yl]-3-methylphenyl]methoxymethyl]-1-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]cyclohexyl]-2-(methoxymethyl)-6-methylphenol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC(=C1C)N=NC2=NC=CN2C)N=NC3=CC=C(C=C3)N(CCO)CCO

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC(=C1C)N=NC2=NC=CN2C)N=NC3=CC=C(C=C3)N(CCO)CCO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):