Geometry & MOs

Info

ID:	401560
PubChem CID:	135051644
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-169.53
Dipole, Da:	5.68
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-methylamino]propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C#CCOC2CCCCO2

DOS

IR

Vibrations