Geometry & MOs

Info

ID:	233416
PubChem CID:	90271444
Reduced:	N7H25C29 (1)
Stoich.:	A7B25C29 (1)
Weight, g/mol:	431.02153
ΔH_f, kcal/mol:	203.3
Dipole, Da:	5.59
IP(EA), eV:	-8.46(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/N=C6C=CC=C(C6=N5)C7=CC=NC=C7

DOS

IR

Vibrations