Geometry & MOs

Info

ID:	170791
PubChem CID:	75280708
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	4.77
Dipole, Da:	8.06
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-oxo-8,9,10,10b-tetrahydro-7H-phenanthridin-3-yl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(CCl)C(=O)NC1=CC2=NC(=O)C3=C(C2C=C1)CCC3

DOS

IR

Vibrations