Geometry & MOs

Info

ID:	410953
PubChem CID:	135083757
Reduced:	NOH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	0.37
Dipole, Da:	7.65
IP(EA), eV:	-9.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[8.2.1.02,9]tridec-11-en-13-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)C(CC2)C#N

DOS

IR

Vibrations