Geometry & MOs

Info

ID:	69194
PubChem CID:	46530397
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	439.130775
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	6.52
IP(EA), eV:	-8.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CO4

DOS

IR

Vibrations