Geometry & MOs

Info

ID:	261818
PubChem CID:	103252903
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-205.41
Dipole, Da:	6.17
IP(EA), eV:	-9.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(4-ethoxy-4-oxobutyl)amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCNCCOC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations