Geometry & MOs

Info

ID:	30116
PubChem CID:	840005
Reduced:	ClNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	7.84
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,5-diaminothiophene-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl)OC

DOS

IR

Vibrations