Geometry & MOs

Info

ID:	12584
PubChem CID:	140856
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-23.11
Dipole, Da:	4.95
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN=C=S)OC

DOS

IR

Vibrations