Geometry & MOs

Info

ID:	390006
PubChem CID:	134996552
Reduced:	P2O7C8H18 (1)
Stoich.:	A2B7C8D18 (1)
Weight, g/mol:	252.075491
ΔH_f, kcal/mol:	-417.0
Dipole, Da:	1.66
IP(EA), eV:	-9.29(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-cyclobutyl-1-isothiocyanatohex-1-en-2-yl] thiocyanate

Drug info:

PubChemData

Smile

C/C(=C\OP(=O)(OC)OC)/CP(=O)(OC)OC

DOS

IR

Vibrations