Geometry & MOs

Info

ID:	296440
PubChem CID:	117574486
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	5.19
IP(EA), eV:	-8.39(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-3-(2,4,6-trimethylanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC(C(=O)O)NC

DOS

IR

Vibrations