Geometry & MOs

Info

ID:	352938
PubChem CID:	127284029
Reduced:	OSN4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	14.95
Dipole, Da:	6.84
IP(EA), eV:	-9.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)NC2=NN=CS2

DOS

IR

Vibrations