Geometry & MOs

Info

ID:	261742
PubChem CID:	103248875
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-138.68
Dipole, Da:	5.54
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[2-(2-hydroxyethoxy)ethylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CO)NCC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations