Geometry & MOs

Info

ID:	386726
PubChem CID:	134982700
Reduced:	OH5C6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	342.081143
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	4.16
IP(EA), eV:	-9.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8Z,10E)-10-chloro-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)C=C1C)C(=O)C2=CC=CC=C2)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations