Geometry & MOs

Info

ID:	122654
PubChem CID:	50816201
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	2.83
IP(EA), eV:	-8.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations