Geometry & MOs

Info

ID:	254278
PubChem CID:	103123902
Reduced:	BrON4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	82.19
Dipole, Da:	6.0
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methylpropyl)-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NN=C(O3)Br

DOS

IR

Vibrations