Geometry & MOs

Info

ID:	375320
PubChem CID:	131499949
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-58.32
Dipole, Da:	1.22
IP(EA), eV:	-9.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1(CCC1)C2=NC(=CC=C2)Cl

DOS

IR

Vibrations