Geometry & MOs

Info

ID:	176512
PubChem CID:	76061783
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	516.254356
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	6.4
IP(EA), eV:	-9.63(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N,9a,11a-trimethyl-7-oxo-N-phenyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=O)C(=NC(=O)C)C(=C1)C

DOS

IR

Vibrations