Geometry & MOs

Info

ID:	182819
PubChem CID:	76940907
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	5.54
IP(EA), eV:	-9.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclohexylmethyl(methyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CCO)CC=CC(=O)O

DOS

IR

Vibrations