Geometry & MOs

Info

ID:	381196
PubChem CID:	134971852
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	404.365431
ΔH_f, kcal/mol:	-188.19
Dipole, Da:	3.05
IP(EA), eV:	-10.16(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

Drug info:

PubChemData

Smile

CC1CCC2CC(C(CC2(C1C)C)O)OC(=O)C

DOS

IR

Vibrations