Geometry & MOs

Info

ID:	429498
PubChem CID:	135169547
Reduced:	OF3N9H18C23 (1)
Stoich.:	AB3C9D18E23 (1)
Weight, g/mol:	424.091388
ΔH_f, kcal/mol:	2.58
Dipole, Da:	11.28
IP(EA), eV:	-8.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-6-methoxypyridin-3-yl)-1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C4=CC=CC=C43)N)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations