Geometry & MOs

Info

ID:	88853
PubChem CID:	49957309
Reduced:	ClN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	448.162077
ΔH_f, kcal/mol:	61.71
Dipole, Da:	3.85
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C2C=CC=C3Cl)C4=CN=CC=C4

DOS

IR

Vibrations