Geometry & MOs

Info

ID:	307441
PubChem CID:	125299950
Reduced:	ClN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	20.7
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-3-(6-methoxy-2H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)Cl)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations