Geometry & MOs

Info

ID:	291879
PubChem CID:	113585157
Reduced:	BrOSN3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	333.05105
ΔH_f, kcal/mol:	39.86
Dipole, Da:	4.71
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(2-methyl-2-methylsulfanylpropyl)amino]-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C(=O)N(N=C1)CC#C)Br)SC

DOS

IR

Vibrations