Geometry & MOs

Info

ID:	125465
PubChem CID:	50925366
Reduced:	ClN3O3F4C25H26 (1)
Stoich.:	AB3C3D4E25F26 (1)
Weight, g/mol:	406.195939
ΔH_f, kcal/mol:	-289.72
Dipole, Da:	3.66
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(111C)methyl-2-(4-nitrophenyl)indol-3-yl]-2-oxo-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

COCCN1C=C(C2=C(C=CC(=C21)OC(F)(F)F)Cl)C(=O)N3CCC(CC3)C4=C(C=CC(=C4)CN)F

DOS

IR

Vibrations