Geometry & MOs

Info

ID:	291870
PubChem CID:	113585113
Reduced:	BrOSN3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	335.03031
ΔH_f, kcal/mol:	3.77
Dipole, Da:	3.72
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CSC)NC1=C(C(=O)N(N=C1)CC2CC2)Br

DOS

IR

Vibrations