Geometry & MOs

Info

ID:	182818
PubChem CID:	76940906
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	5.05
IP(EA), eV:	-9.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(2-hydroxyethyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CN(CCO)CC=CC(=O)O

DOS

IR

Vibrations