Geometry & MOs

Info

ID:	302474
PubChem CID:	124361889
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	453.104418
ΔH_f, kcal/mol:	-154.0
Dipole, Da:	3.54
IP(EA), eV:	-9.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3aS)-2-(2-chlorophenyl)-1-(4-fluorobenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C(=O)N(C(=O)N1)C[C@H]2CCCO2

DOS

IR

Vibrations