Geometry & MOs

Info

ID:	211623
PubChem CID:	81044568
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	2.39
IP(EA), eV:	-8.84(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations