Geometry & MOs

Info

ID:	53146
PubChem CID:	14709655
Reduced:	C6H7 (2)
Stoich.:	A6B7 (2)
Weight, g/mol:	187.075905
ΔH_f, kcal/mol:	37.59
Dipole, Da:	0.82
IP(EA), eV:	-8.28(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-cyclohepta-2,4,6-trien-1-ylcyclopentane-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(=C2C=CC=CC=C2)C1

DOS

IR

Vibrations