Geometry & MOs

Info

ID:	131189
PubChem CID:	51172200
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	396.102289
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	4.78
IP(EA), eV:	-8.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCN2CC(=O)NCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations