Geometry & MOs

Info

ID:	89229
PubChem CID:	49960062
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	515.95072
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	4.63
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations