Geometry & MOs

Info

ID:	360379
PubChem CID:	127301024
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	55.49
Dipole, Da:	5.89
IP(EA), eV:	-10.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCCC(C4)N5C=NC=N5

DOS

IR

Vibrations