Geometry & MOs

Info

ID:	213141
PubChem CID:	81062991
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	1.14
IP(EA), eV:	-8.96(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations