Geometry & MOs

Info

ID:	88864
PubChem CID:	49957335
Reduced:	SN2O2C26H26 (1)
Stoich.:	AB2C2D26E26 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	8.11
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=CC=C5

DOS

IR

Vibrations