Geometry & MOs

Info

ID:	171285
PubChem CID:	75353743
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	420.04734
ΔH_f, kcal/mol:	10.48
Dipole, Da:	2.82
IP(EA), eV:	-8.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylphenoxy)methyl]-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43)OC

DOS

IR

Vibrations