Geometry & MOs

Info

ID:	291884
PubChem CID:	113585167
Reduced:	ClSO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	314.07422
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	1.39
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(but-3-en-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NC2CCS(=O)CC2)Cl

DOS

IR

Vibrations