Geometry & MOs

Info

ID:	203195
PubChem CID:	79791702
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-178.58
Dipole, Da:	8.48
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylcyclohexyl)amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)NC1=CC=C(C=C1)OC(C)C

DOS

IR

Vibrations