Geometry & MOs

Info

ID:	25136
PubChem CID:	619404
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	292.219101
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	2.52
IP(EA), eV:	-8.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(22),2,4(21)-triene

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations