Geometry & MOs

Info

ID:	372328
PubChem CID:	131296239
Reduced:	ClOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-91.74
Dipole, Da:	2.9
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-5-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations