Geometry & MOs

Info

ID:	185366
PubChem CID:	77289413
Reduced:	O3C24H40 (1)
Stoich.:	A3B24C40 (1)
Weight, g/mol:	476.41305
ΔH_f, kcal/mol:	-201.57
Dipole, Da:	3.89
IP(EA), eV:	-9.94(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(C(=O)O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

DOS

IR

Vibrations