Geometry & MOs

Info

ID:	254263
PubChem CID:	103123805
Reduced:	ON6H8C10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	73.25
Dipole, Da:	11.83
IP(EA), eV:	-9.62(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3,3-dimethylbutyl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC(=O)N=C(N3)N

DOS

IR

Vibrations