Geometry & MOs

Info

ID:	337033
PubChem CID:	127256598
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	194.073165
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	3.46
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-oxatetracyclo[8.5.0.01,14.04,9]pentadeca-2,4,6,8,10,13-hexaene

Drug info:

PubChemData

Smile

C1C=C(C2=C(O1)C3=CC=CC=C3C=C2)C(=O)OCC=O

DOS

IR

Vibrations