Geometry & MOs

Info

ID:	352499
PubChem CID:	127283587
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	267.115381
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	6.05
IP(EA), eV:	-9.09(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylidenepiperidin-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCCC1C(=O)N2CCC(=C)CC2

DOS

IR

Vibrations