Geometry & MOs

Info

ID:	319669
PubChem CID:	126656974
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	262.957455
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	2.93
IP(EA), eV:	-9.43(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dichloro-3,5-dimethoxyphenyl) thiocyanate

Drug info:

PubChemData

Smile

CCCN(CC)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations