Geometry & MOs

Info

ID:	397038
PubChem CID:	135029635
Reduced:	ClNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	4.22
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyspiro[5,6,7,8-tetrahydrobenzo[f]isoindole-3,1'-cyclohexane]-1-one

Drug info:

PubChemData

Smile

CON1C(=O)C2=C(C13CCCCC3)C=CC(=C2)Cl

DOS

IR

Vibrations