Geometry & MOs

Info

ID:	393166
PubChem CID:	135019613
Reduced:	ClO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	393.017078
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	2.77
IP(EA), eV:	-9.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(2,2-dichloroacetyl)pyrrolo[1,2-a]quinoline-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1(CC2=C(C[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)OC)C(=O)C1)C

DOS

IR

Vibrations