Geometry & MOs

Info

ID:	88865
PubChem CID:	49957336
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	361.045876
ΔH_f, kcal/mol:	7.42
Dipole, Da:	5.7
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-dichloro-4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)[N+](=O)[O-])C3C=CCC3C(N2)C4=CC(=CC=C4)OC

DOS

IR

Vibrations