Geometry & MOs

Info

ID:	88776
PubChem CID:	49956703
Reduced:	NOCl3H20C25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	325.04661
ΔH_f, kcal/mol:	22.82
Dipole, Da:	5.81
IP(EA), eV:	-8.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C2C(=C(C=C3Cl)Cl)Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations