Geometry & MOs

Info

ID:	429588
PubChem CID:	135169637
Reduced:	OSF3N9H18C20 (1)
Stoich.:	ABC3D9E18F20 (1)
Weight, g/mol:	272.046489
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	7.32
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-quinolin-5-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2N=CC=N2)C)NC(=O)C3=C(N(N=C3)C4=CC=CC(=C4SN)N)C(F)(F)F

DOS

IR

Vibrations