Geometry & MOs

Info

ID:	261868
PubChem CID:	103255895
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	4.32
IP(EA), eV:	-9.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dihydroxy-2-methylpropyl)amino]-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1C(CC1O)NC/C=C/C(=O)O

DOS

IR

Vibrations