Geometry & MOs

Info

ID:	25387
PubChem CID:	623918
Reduced:	OCl2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	276.245316
ΔH_f, kcal/mol:	11.1
Dipole, Da:	3.51
IP(EA), eV:	-9.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations