Geometry & MOs

Info

ID:	403105
PubChem CID:	135058772
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	394.168128
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	5.52
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(3-oxo-3-phenylpropyl)-N-quinolin-8-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC(C)C(=O)C)C(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations