Geometry & MOs

Info

ID:	31454
PubChem CID:	855740
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	3.28
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations