Geometry & MOs

Info

ID:	247592
PubChem CID:	103072338
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-36.97
Dipole, Da:	8.02
IP(EA), eV:	-9.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CN1CCN(C(=O)C1=O)CC(=C)CNC2CC2

DOS

IR

Vibrations