Geometry & MOs

Info

ID:	296439
PubChem CID:	117574467
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	5.05
IP(EA), eV:	-9.07(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-3-(4-methylanilino)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations