Geometry & MOs

Info

ID:	180000
PubChem CID:	76564629
Reduced:	ON6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	426.051353
ΔH_f, kcal/mol:	43.54
Dipole, Da:	2.59
IP(EA), eV:	-8.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-2-(4-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)-2,9a-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=NC(=C2)NC3CCOCC3)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations