Geometry & MOs

Info

ID:	28416
PubChem CID:	827452
Reduced:	Cl2N2O2H8C15 (1)
Stoich.:	A2B2C2D8E15 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	12.04
Dipole, Da:	2.79
IP(EA), eV:	-9.63(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)N=C(O2)CC3=NC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations