Geometry & MOs

Info

ID:	280107
PubChem CID:	103846917
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	1.59
IP(EA), eV:	-8.34(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylcyclohexyl)methylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1C)C(C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations