Geometry & MOs

Info

ID:	12721
PubChem CID:	144518
Reduced:	NOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	197.084064
ΔH_f, kcal/mol:	53.94
Dipole, Da:	5.17
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxytricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3CC2C(=C3)C#N

DOS

IR

Vibrations