Geometry & MOs

Info

ID:	88857
PubChem CID:	49957313
Reduced:	FON2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	340.053404
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	4.92
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations