Geometry & MOs

Info

ID:	167964
PubChem CID:	74906429
Reduced:	Cl2N3O3H27C31 (1)
Stoich.:	A2B3C3D27E31 (1)
Weight, g/mol:	571.05235
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	5.89
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5Cl

DOS

IR

Vibrations