Geometry & MOs

Info

ID:	31453
PubChem CID:	855738
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	4.99
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)C

DOS

IR

Vibrations