Geometry & MOs

Info

ID:	138524
PubChem CID:	52379733
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	4.62
IP(EA), eV:	-8.04(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2-methoxyphenyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@H]1C(=O)NC2=CC(=C(C=C2)OC)CC3=CC=CC=C3

DOS

IR

Vibrations