Geometry & MOs

Info

ID:	317954
PubChem CID:	126647980
Reduced:	OC6H8 (6)
Stoich.:	AB6C8 (6)
Weight, g/mol:	557.371638
ΔH_f, kcal/mol:	-226.07
Dipole, Da:	2.29
IP(EA), eV:	-8.13(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E,10E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-13-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienamide

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=CC(=CC2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C3COC(OC3)C4=CC(=C(C=C4)OC)OC)O

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=CC(=CC2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C3COC(OC3)C4=CC(=C(C=C4)OC)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):