Geometry & MOs

Info

ID:	214089
PubChem CID:	81067268
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	298.225643
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	2.56
IP(EA), eV:	-8.77(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(4,4-dimethylcyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC=C1)OCCN(C)CCOCC

DOS

IR

Vibrations