Geometry & MOs

Info

ID:	392106
PubChem CID:	135013007
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	276.151415
ΔH_f, kcal/mol:	68.55
Dipole, Da:	3.72
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2,3,6,7,8,9-hexahydro-1H-cyclohepta[e]inden-10-one

Drug info:

PubChemData

Smile

C#CCCCCC(=O)C1=C(C2C1CCC2)C3=CC=CC=C3

DOS

IR

Vibrations