Geometry & MOs

Info

ID:	166273
PubChem CID:	74660487
Reduced:	N4O4C19H27 (1)
Stoich.:	A4B4C19D27 (1)
Weight, g/mol:	479.158739
ΔH_f, kcal/mol:	-143.84
Dipole, Da:	15.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758000
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations