Geometry & MOs

Info

ID:	262079
PubChem CID:	103268555
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	2.57
IP(EA), eV:	-9.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dimethylpiperidin-4-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)NC2(CC2)CO

DOS

IR

Vibrations