Geometry & MOs

Info

ID:	375328
PubChem CID:	131499981
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	3.34
IP(EA), eV:	-9.35(2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-6-bromo-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CCN)C2CCOCC2

DOS

IR

Vibrations