Geometry & MOs

Info

ID:	213256
PubChem CID:	81063273
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-167.77
Dipole, Da:	4.35
IP(EA), eV:	-9.01(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=CC(=CC=C1)OC

DOS

IR

Vibrations