Geometry & MOs

Info

ID:	291869
PubChem CID:	113585112
Reduced:	BrOSN3C11H18 (1)
Stoich.:	ABCD3E11F18 (1)
Weight, g/mol:	331.0354
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	6.98
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(cyclopropylmethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NC(C)CSC)Br

DOS

IR

Vibrations