Geometry & MOs

Info

ID:	357592
PubChem CID:	127294265
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	8.6
IP(EA), eV:	-8.85(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-4-[4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations