Geometry & MOs

Info

ID:	88845
PubChem CID:	49957249
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	1.83
IP(EA), eV:	-8.23(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-(3-methylphenyl)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3CC=CC3C4=CC=CC=C4N2)OC

DOS

IR

Vibrations