Geometry & MOs

Info

ID:	220718
PubChem CID:	85230706
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	-109.68
Dipole, Da:	1.21
IP(EA), eV:	-9.5(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylsulfinylbicyclo[4.2.2]deca-2,4,9-triene-7-carbonitrile

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)O

DOS

IR

Vibrations