Geometry & MOs

Info

ID:	394
PubChem CID:	2705
Reduced:	O4C25H42 (1)
Stoich.:	A4B25C42 (1)
Weight, g/mol:	406.30831
ΔH_f, kcal/mol:	-264.2
Dipole, Da:	5.9
IP(EA), eV:	-10.1(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,8-dihydroxy-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1CCCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

DOS

IR

Vibrations