Geometry & MOs

Info

ID:	268269
PubChem CID:	103598668
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	384.171689
ΔH_f, kcal/mol:	10.27
Dipole, Da:	3.41
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CCCN2C(=O)C=CC3=CC=CC=N3)C

DOS

IR

Vibrations