Geometry & MOs

Info

ID:	156884
PubChem CID:	56394830
Reduced:	FON4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-1.93
Dipole, Da:	5.19
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1-propyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=NC=C2)C3=CC=CC=C3NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations