Geometry & MOs

Info

ID:	18781
PubChem CID:	548178
Reduced:	O2C27H46 (1)
Stoich.:	A2B27C46 (1)
Weight, g/mol:	402.349781
ΔH_f, kcal/mol:	-177.35
Dipole, Da:	4.28
IP(EA), eV:	-9.24(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

DOS

IR

Vibrations