Geometry & MOs

Info

ID:	178182
PubChem CID:	76291080
Reduced:	NOC10H11 (3)
Stoich.:	ABC10D11 (3)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-84.84
Dipole, Da:	4.31
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

DOS

IR

Vibrations