Geometry & MOs

Info

ID:	408170
PubChem CID:	135080930
Reduced:	BrOSH3C6 (1)
Stoich.:	ABCD3E6 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	29.86
Dipole, Da:	1.1
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-3-methylbutan-2-yl) ethyl carbonate

Drug info:

PubChemData

Smile

C1=COC2=C1SC(=C2)Br

DOS

IR

Vibrations