Geometry & MOs

Info

ID:	291880
PubChem CID:	113585158
Reduced:	BrOSN3C12H20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	333.05105
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	4.76
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NCC(C)(C)SC)Br

DOS

IR

Vibrations