Geometry & MOs

Info

ID:	122650
PubChem CID:	50816197
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-36.46
Dipole, Da:	2.02
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-benzyl-6-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCC4

DOS

IR

Vibrations