Geometry & MOs

Info

ID:	261559
PubChem CID:	103240245
Reduced:	NS2O4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-143.6
Dipole, Da:	7.82
IP(EA), eV:	-9.82(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[2-(methoxymethyl)phenyl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNCC1=CC=C(S1)C(=O)O

DOS

IR

Vibrations