Geometry & MOs

Info

ID:	429637
PubChem CID:	135169686
Reduced:	O2N5H7C9 (1)
Stoich.:	A2B5C7D9 (1)
Weight, g/mol:	356.009944
ΔH_f, kcal/mol:	112.7
Dipole, Da:	8.1
IP(EA), eV:	-9.47(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-6-(difluoromethoxy)pyridin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations