Geometry & MOs

Info

ID:	157920
PubChem CID:	56459012
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	385.142641
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	3.93
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxochromen-6-yl)-2-pyrrolidin-1-ylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)N(C)CC(=O)NC2=CC=CC(=C2)C#C)C3=CC=CC=C3

DOS

IR

Vibrations