Geometry & MOs

Info

ID:	298856
PubChem CID:	117661768
Reduced:	OC29H50 (1)
Stoich.:	AB29C50 (1)
Weight, g/mol:	531.262088
ΔH_f, kcal/mol:	-136.34
Dipole, Da:	2.61
IP(EA), eV:	-9.24(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,8bR)-4-[(4-butyl-2,6-dihydroxyphenyl)methyl]-8b-hydroxy-7-(hydroxymethyl)-2,3a-dihydro-1H-furo[2,3-b]indol-2-yl]-3-(3-methylphenyl)propan-2-one

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

CC[C@H](CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

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

CC[C@H](CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):