Geometry & MOs

Info

ID:	374410
PubChem CID:	131328716
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	250.980777
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	0.94
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4H-thieno[3,2-b]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)CO)C(C(=O)C)Cl

DOS

IR

Vibrations