Geometry & MOs

Info

ID:	352908
PubChem CID:	127283998
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	7.41
IP(EA), eV:	-9.54(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CNC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations