Geometry & MOs

Info

ID:	182824
PubChem CID:	76941507
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	341.0375
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	2.8
IP(EA), eV:	-9.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-6-(6-bromo-2-oxo-1,6-dihydrobenzimidazol-5-yl)hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=CC(=O)NC2CCCCC2O

DOS

IR

Vibrations