Geometry & MOs

Info

ID:	171279
PubChem CID:	75353254
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	485.94015
ΔH_f, kcal/mol:	11.93
Dipole, Da:	3.76
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC2=NN=C(O2)C=CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations