Geometry & MOs

Info

ID:	399624
PubChem CID:	135041331
Reduced:	IOH11C16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	130.041865
ΔH_f, kcal/mol:	56.1
Dipole, Da:	0.69
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-didehydro-8H-cyclohepta[b]furan

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=COC(=C2I)C3=CC=CC=C3

DOS

IR

Vibrations