Geometry & MOs

Info

ID:	307734
PubChem CID:	125308727
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	5.49
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2H-indol-3-yl)-2-[(2S)-2-methylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)N1C(=O)/C(=C/NCCC2=C3C=CC=CC3=NC2)/C(=O)NC1=S

DOS

IR

Vibrations