Geometry & MOs

Info

ID:	358678
PubChem CID:	127296468
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	29.46
Dipole, Da:	5.23
IP(EA), eV:	-8.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)N3CCCCC3C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations