Geometry & MOs

Info

ID:	183938
PubChem CID:	77091231
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	87.53
Dipole, Da:	8.04
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]indole

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C#N)CC2=NOC(=C2)C3CC3

DOS

IR

Vibrations