Geometry & MOs

Info

ID:	291810
PubChem CID:	113584869
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	311.06332
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	5.58
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-cyclopropylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NCCC2CC2)Cl

DOS

IR

Vibrations