Geometry & MOs

Info

ID:	404676
PubChem CID:	135069159
Reduced:	NO5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	517.155909
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	3.57
IP(EA), eV:	-8.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(4-methylphenyl)sulfonyl-3-phenyl-4,9b-dihydro-1H-cyclopenta[c]quinoline-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCN1C2C3=CC=CC=C3C(O1)CC2(C(=O)OC)C(=O)OC

DOS

IR

Vibrations