Geometry & MOs

Info

ID:	388083
PubChem CID:	134988102
Reduced:	NC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	258.998926
ΔH_f, kcal/mol:	26.86
Dipole, Da:	3.58
IP(EA), eV:	-9.6(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2-dichloro-1-isothiocyanato-2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CC[C@@](C)(CC1=CC=CC=C1)C#N

DOS

IR

Vibrations