Geometry & MOs

Info

ID:	184029
PubChem CID:	77102325
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	7.54
IP(EA), eV:	-8.89(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)CC=C(CC)C(=O)O

DOS

IR

Vibrations