Geometry & MOs

Info

ID:	88784
PubChem CID:	49956809
Reduced:	NOCl3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	325.04661
ΔH_f, kcal/mol:	-5.17
Dipole, Da:	5.76
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3CC=CC3C4=C(N2)C(=CC(=C4Cl)Cl)Cl

DOS

IR

Vibrations