Geometry & MOs

Info

ID:	190085
PubChem CID:	77951476
Reduced:	ClO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	340.24023
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	2.7
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10,13-trimethyl-15-(2-oxopropyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)CCC4=CC=C(C=C4)C

DOS

IR

Vibrations