Geometry & MOs

Info

ID:	261149
PubChem CID:	103220117
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	3.92
IP(EA), eV:	-8.75(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCNC1=CC(=O)N(N=C1)CCCN2CCCC2

DOS

IR

Vibrations