Geometry & MOs

Info

ID:	402686
PubChem CID:	135056851
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	307.94439
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	2.29
IP(EA), eV:	-9.04(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-diethoxy-1,3,2-benzodithiaselenole

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)N1CC=C(C1)C=C

DOS

IR

Vibrations