Geometry & MOs

Info

ID:	429840
PubChem CID:	135169893
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	263.08071
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	8.77
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-1-quinolin-5-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=NC1=CC=CC2=C1C=CC=N2)/C(=C\N)/C(=O)O

DOS

IR

Vibrations