Geometry & MOs

Info

ID:	282412
PubChem CID:	103925910
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	2.89
IP(EA), eV:	-9.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dimethylbenzoyl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CN(N=C1C)C)C(=O)O

DOS

IR

Vibrations