Geometry & MOs

Info

ID:	84342
PubChem CID:	49865934
Reduced:	ON2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	24.64
Dipole, Da:	4.99
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzylpiperidin-3-yl)-(1H-indol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC(NC1)(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations