Geometry & MOs

Info

ID:	88858
PubChem CID:	49957314
Reduced:	Cl2N2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	319.157229
ΔH_f, kcal/mol:	75.08
Dipole, Da:	5.05
IP(EA), eV:	-8.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C(C=CC=C23)C#N)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations