Geometry & MOs

Info

ID:	216373
PubChem CID:	85086121
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-124.0
Dipole, Da:	6.71
IP(EA), eV:	-9.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-3-(4-phenylbutyl)oxadiazol-3-ium-5-yl]-oxidodiazene

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)CC2CNC(=O)NC2=O

DOS

IR

Vibrations