Geometry & MOs

Info

ID:	302941
PubChem CID:	124403767
Reduced:	NO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	329.073805
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	3.89
IP(EA), eV:	-8.55(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,9bR)-4-(3,4-dichlorophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)OCC=C

DOS

IR

Vibrations