Geometry & MOs

Info

ID:	42445
PubChem CID:	8149563
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	-8.0
Dipole, Da:	3.51
IP(EA), eV:	-7.83(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C21)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations