Geometry & MOs

Info

ID:	69620
PubChem CID:	47205037
Reduced:	OF3N3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	269.077596
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	2.28
IP(EA), eV:	-9.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations