Geometry & MOs

Info

ID:	389991
PubChem CID:	134996441
Reduced:	OPSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	240.075491
ΔH_f, kcal/mol:	-102.09
Dipole, Da:	3.64
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-isothiocyanato-2-methyloct-3-en-4-yl] thiocyanate

Drug info:

PubChemData

Smile

CCOP(=S)(C1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations