Geometry & MOs

Info

ID:	291885
PubChem CID:	113585169
Reduced:	BrON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	3.91
Dipole, Da:	5.17
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(but-3-en-2-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C=C)NC1=C(C(=O)N(N=C1)CCN(C)C)Br

DOS

IR

Vibrations