Geometry & MOs

Info

ID:	123433
PubChem CID:	50847194
Reduced:	BrON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	345.108897
ΔH_f, kcal/mol:	37.83
Dipole, Da:	0.65
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CC=N2)CNC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations