Geometry & MOs

Info

ID:	2041
PubChem CID:	5645
Reduced:	OC6H10 (4)
Stoich.:	AB6C10 (4)
Weight, g/mol:	392.29266
ΔH_f, kcal/mol:	-250.56
Dipole, Da:	4.27
IP(EA), eV:	-10.27(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

DOS

IR

Vibrations