Geometry & MOs

Info

ID:	31633
PubChem CID:	855959
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	304.157563
ΔH_f, kcal/mol:	-24.91
Dipole, Da:	4.0
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-ethyl-3-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations