Geometry & MOs

Info

ID:	302939
PubChem CID:	124403747
Reduced:	NO2H27C31 (1)
Stoich.:	AB2C27D31 (1)
Weight, g/mol:	397.06774
ΔH_f, kcal/mol:	20.81
Dipole, Da:	5.07
IP(EA), eV:	-8.52(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-6,8-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)OCC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations