Geometry & MOs

Info

ID:	322267
PubChem CID:	126669571
Reduced:	ON2H12C18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	332.214016
ΔH_f, kcal/mol:	67.98
Dipole, Da:	7.96
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-methyl-3-propylphenyl)-4-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=CC=CC=C2C(=C1)C3=CN=C(C=C3)C#N

DOS

IR

Vibrations