Geometry & MOs

Info

ID:	261878
PubChem CID:	103256597
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-124.56
Dipole, Da:	2.69
IP(EA), eV:	-9.03(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethylcyclohexyl)amino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC(=CCNC12CC3CC(C1)(CC(C3)(C2)C)C)C(=O)OC

DOS

IR

Vibrations