Geometry & MOs

Info

ID:	291557
PubChem CID:	113442984
Reduced:	BrNO3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-162.83
Dipole, Da:	1.89
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CCCCC2CCC1C(=O)CBr

DOS

IR

Vibrations