Geometry & MOs

Info

ID:	55228
PubChem CID:	17389925
Reduced:	SN3O4C9H11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	335.115758
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	2.27
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9bS)-4-(4-carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(N2)N.OS(=O)(=O)O

DOS

IR

Vibrations