Geometry & MOs

Info

ID:	367078
PubChem CID:	127323131
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-123.64
Dipole, Da:	3.65
IP(EA), eV:	-8.05(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperidin-1-yl)-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN(CCC2=C1)CC(=O)NC3CCCCC3)OC

DOS

IR

Vibrations