Geometry & MOs

Info

ID:	126844
PubChem CID:	50981162
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	7.16
IP(EA), eV:	-9.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1CNC(C2=C1NC=N2)C3=CC=CC=C3OCC(=O)N

DOS

IR

Vibrations