Geometry & MOs

Info

ID:	246971
PubChem CID:	103065874
Reduced:	ClNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	3.32
IP(EA), eV:	-9.44(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

C=C(CN1CCCC2=CC=CC=C2C1=O)CCl

DOS

IR

Vibrations