Geometry & MOs

Info

ID:	302902
PubChem CID:	124403627
Reduced:	Cl2N2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	5.47
IP(EA), eV:	-9.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3aR)-2-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CCO)[C@H]2CC(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations