Geometry & MOs

Info

ID:	55015
PubChem CID:	17389662
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	243.012077
ΔH_f, kcal/mol:	-199.82
Dipole, Da:	2.02
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-benzothiophene-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCCCN1.C(=O)(C(=O)O)O

DOS

IR

Vibrations