Geometry & MOs

Info

ID:	31390
PubChem CID:	855654
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	3.38
IP(EA), eV:	-8.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations