Geometry & MOs

Info

ID:	42444
PubChem CID:	8149562
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	3.75
IP(EA), eV:	-8.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-piperidin-1-ylanilino)propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CCCC(=O)[C@H](C#N)C1=NC(=CS1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations