Geometry & MOs

Info

ID:	245123
PubChem CID:	99437608
Reduced:	OF4N4H12C17 (1)
Stoich.:	AB4C4D12E17 (1)
Weight, g/mol:	368.069652
ΔH_f, kcal/mol:	-137.31
Dipole, Da:	6.71
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(5-fluoropyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=NC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations