Geometry & MOs

Info

ID:	213447
PubChem CID:	81063751
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-178.09
Dipole, Da:	1.44
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-phenylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations