Geometry & MOs

Info

ID:	220813
PubChem CID:	85240081
Reduced:	ClN2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	3.8
IP(EA), eV:	-9.41(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-hydroxy-6a-methyl-2,4,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]quinolin-3-ylidene)but-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(C3=N2)C(=O)N)Cl

DOS

IR

Vibrations