Geometry & MOs

Info

ID:	213193
PubChem CID:	81063142
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	233.126323
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	3.22
IP(EA), eV:	-9.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)COC1=CC=CC=C1C#N

DOS

IR

Vibrations