Geometry & MOs

Info

ID:	368834
PubChem CID:	127330654
Reduced:	ON8C14H18 (1)
Stoich.:	AB8C14D18 (1)
Weight, g/mol:	390.183795
ΔH_f, kcal/mol:	89.6
Dipole, Da:	10.93
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-ylsulfonyl-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)N3CCCC(C3)CN4C=NC=N4

DOS

IR

Vibrations