Geometry & MOs

Info

ID:	339600
PubChem CID:	127261590
Reduced:	INO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	4.37
IP(EA), eV:	-8.94(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC1=CC=CC=C1NC(=O)CI

DOS

IR

Vibrations