Geometry & MOs

Info

ID:	37551
PubChem CID:	8022129
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	370.095357
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	2.67
IP(EA), eV:	-8.76(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl anthracene-9-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations