Geometry & MOs

Info

ID:	70901
PubChem CID:	48414021
Reduced:	OF3N5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	363.130695
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	5.65
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations