Geometry & MOs

Info

ID:	31393
PubChem CID:	855658
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	3.58
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC3=CC=CC=C3)C(=O)C)C

DOS

IR

Vibrations