Geometry & MOs

Info

ID:	375191
PubChem CID:	131472814
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	3.59
IP(EA), eV:	-8.6(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-7-hydroxy-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=CC2=C1CCC[C@@H]2N

DOS

IR

Vibrations