Geometry & MOs

Info

ID:	302942
PubChem CID:	124403774
Reduced:	NCl2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	305.141579
ΔH_f, kcal/mol:	36.01
Dipole, Da:	2.08
IP(EA), eV:	-8.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations