Geometry & MOs

Info

ID:	268155
PubChem CID:	103598120
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	362.070116
ΔH_f, kcal/mol:	-20.38
Dipole, Da:	3.46
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,5-dichloropyridin-2-yl)piperazin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=CC(=C2)CNC(=O)C=CC3=CC=CC=N3

DOS

IR

Vibrations