Geometry & MOs

Info

ID:	78975
PubChem CID:	49742920
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	359.138225
ΔH_f, kcal/mol:	-145.22
Dipole, Da:	7.72
IP(EA), eV:	-8.82(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-2-oxo-1H-quinolin-7-yl)-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

DOS

IR

Vibrations