Geometry & MOs

Info

ID:	360399
PubChem CID:	127301044
Reduced:	ON6C20H30 (1)
Stoich.:	AB6C20D30 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	6.08
Dipole, Da:	4.11
IP(EA), eV:	-8.83(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylsulfonylpiperidin-3-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations