Geometry & MOs

Info

ID:	171284
PubChem CID:	75353742
Reduced:	BrClN2O3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	5.24
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations