Geometry & MOs

Info

ID:	136155
PubChem CID:	51987718
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	-123.82
Dipole, Da:	3.77
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CN[C@H](CC2=CNC3=CC=CC=C32)C(=O)O)Cl)OCC

DOS

IR

Vibrations