Geometry & MOs

Info

ID:	213278
PubChem CID:	81063325
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	2.61
IP(EA), eV:	-9.33(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(4-methylphenyl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations