Geometry & MOs

Info

ID:	302944
PubChem CID:	124403790
Reduced:	BrNO4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	459.160121
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	3.59
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,4R,9bR)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC5=C(C=C4Br)OCO5

DOS

IR

Vibrations