Geometry & MOs

Info

ID:	217038
PubChem CID:	85087149
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	326.13068
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	4.44
IP(EA), eV:	-8.96(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[6-(5-oxohepta-1,3-dien-6-ynyl)cyclohepta-1,3,5-trien-1-yl]nona-4,6,8-trien-1-yn-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations