Geometry & MOs

Info

ID:	170170
PubChem CID:	75205096
Reduced:	FN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	478.138338
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	4.76
IP(EA), eV:	-9.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)NC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3

DOS

IR

Vibrations