Geometry & MOs

Info

ID:	393591
PubChem CID:	135021162
Reduced:	ClON2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	44.29
Dipole, Da:	3.0
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,8-dimethyl-7-oxo-4b,5,6,9-tetrahydrofluorene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]1([C@@H](CC2C(=C1[N+]#[C-])[C@]3(C2(C)C)C4=CC=CC=C4NC3=O)Cl)C=C

DOS

IR

Vibrations