Geometry & MOs

Info

ID:	305194
PubChem CID:	124767463
Reduced:	N2O8H22C23 (1)
Stoich.:	A2B8C22D23 (1)
Weight, g/mol:	508.98129
ΔH_f, kcal/mol:	-276.77
Dipole, Da:	2.67
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4S,9bR)-8-bromo-4-(4-bromophenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@@](N[C@@H]3C4=C(C=C(C=C4)O)O)(CCC(=O)O)C(=O)O

DOS

IR

Vibrations