Geometry & MOs

Info

ID:	46454
PubChem CID:	10524481
Reduced:	BrN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	391.094389
ΔH_f, kcal/mol:	-33.18
Dipole, Da:	5.65
IP(EA), eV:	-9.27(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3CC3

DOS

IR

Vibrations