Geometry & MOs

Info

ID:	136154
PubChem CID:	51987684
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	416.150285
ΔH_f, kcal/mol:	-171.79
Dipole, Da:	7.03
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4,5-diethoxyphenyl)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)OCC(=O)NC(C)(C)C

DOS

IR

Vibrations