Geometry & MOs

Info

ID:	389742
PubChem CID:	134994945
Reduced:	BrSC5H11 (2)
Stoich.:	ABC5D11 (2)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	11.42
IP(EA), eV:	-7.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[[methyl(propan-2-yl)amino]diazenyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C(/C)\CS(C)(C)Br)/CS(C)(C)Br

DOS

IR

Vibrations