Geometry & MOs

Info

ID:	261148
PubChem CID:	103220074
Reduced:	BrClINOC16H16 (1)
Stoich.:	ABCDEF16G16 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	14.67
Dipole, Da:	4.58
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(propylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(C=C1)I)Cl)C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations