Geometry & MOs

Info

ID:	79024
PubChem CID:	49743147
Reduced:	N3O3H17C21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-14.83
Dipole, Da:	7.33
IP(EA), eV:	-8.92(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-2-oxo-1H-quinolin-7-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations