Geometry & MOs

Info

ID:	203273
PubChem CID:	79806197
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-182.39
Dipole, Da:	7.22
IP(EA), eV:	-10.07(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)CCC(C)C

DOS

IR

Vibrations