Geometry & MOs

Info

ID:	235301
PubChem CID:	92304374
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	6.85
IP(EA), eV:	-8.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,9bS)-6-methoxy-4-(4-methoxy-3-nitrophenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations