Geometry & MOs

Info

ID:	203272
PubChem CID:	79806196
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	4.29
IP(EA), eV:	-10.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(4-methylpentanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)C1=C(ON=C1C)C

DOS

IR

Vibrations