Geometry & MOs

Info

ID:	88993
PubChem CID:	49958582
Reduced:	BrN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	362.082205
ΔH_f, kcal/mol:	10.72
Dipole, Da:	4.64
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-5-[(E)-2-naphthalen-1-ylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations