Geometry & MOs

Info

ID:	126295
PubChem CID:	50958961
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-46.21
Dipole, Da:	8.32
IP(EA), eV:	-9.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]-2-(2-methylphenoxy)ethanol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)C(=O)N3CCN4CCNC(=O)C4C3

DOS

IR

Vibrations