Geometry & MOs

Info

ID:	213267
PubChem CID:	81063289
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	1.45
IP(EA), eV:	-9.79(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-benzamidopropanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations