Geometry & MOs

Info

ID:	62834
PubChem CID:	26737111
Reduced:	SN2O3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	383.05209
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	5.1
IP(EA), eV:	-8.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC=C2C(=O)OC(=N2)C3=CC=CO3

DOS

IR

Vibrations