Geometry & MOs

Info

ID:	70897
PubChem CID:	48414015
Reduced:	ClOF3N5H13C16 (1)
Stoich.:	ABC3D5E13F16 (1)
Weight, g/mol:	417.102429
ΔH_f, kcal/mol:	-102.02
Dipole, Da:	4.76
IP(EA), eV:	-9.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

DOS

IR

Vibrations