Geometry & MOs

Info

ID:	31451
PubChem CID:	855736
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	8.39
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=O)C)C

DOS

IR

Vibrations