Geometry & MOs

Info

ID:	166274
PubChem CID:	74660962
Reduced:	ClO2F3N3C24H25 (1)
Stoich.:	AB2C3D3E24F25 (1)
Weight, g/mol:	482.096867
ΔH_f, kcal/mol:	-193.83
Dipole, Da:	9.39
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(F)(F)F)Cl

DOS

IR

Vibrations