Geometry & MOs

Info

ID:	25940
PubChem CID:	634397
Reduced:	NC7H9 (4)
Stoich.:	AB7C9 (4)
Weight, g/mol:	414.349781
ΔH_f, kcal/mol:	97.8
Dipole, Da:	2.73
IP(EA), eV:	-8.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-10,13,14-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-15-one

Drug info:

PubChemData

Smile

CC1(CC2=CC3=NC(=CC3(C)C)C=C4C(CC(=N4)C=C5C(CC(=N5)C=C1N2)(C)C)(C)C)C

DOS

IR

Vibrations