Geometry & MOs

Info

ID:	200490
PubChem CID:	79398062
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-67.86
Dipole, Da:	5.42
IP(EA), eV:	-9.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)O)N(C)C(=O)[C@@H](C2=CC=CC=C2)N

DOS

IR

Vibrations