Geometry & MOs

Info

ID:	211899
PubChem CID:	81058780
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	2.47
IP(EA), eV:	-8.55(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-ethoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1=CC(=C(C=C1)OC)CN

DOS

IR

Vibrations