Geometry & MOs

Info

ID:	213452
PubChem CID:	81063786
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	3.82
IP(EA), eV:	-9.72(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylbutanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations