Geometry & MOs

Info

ID:	296438
PubChem CID:	117574463
Reduced:	N3O3C9H17 (1)
Stoich.:	A3B3C9D17 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	3.54
IP(EA), eV:	-9.21(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-3-[(4-methylphenyl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

CNC(CN1CCN(CC1)C=O)C(=O)O

DOS

IR

Vibrations