Geometry & MOs

Info

ID:	127192
PubChem CID:	50994041
Reduced:	ClF4O4N9C20H22 (1)
Stoich.:	AB4C4D9E20F22 (1)
Weight, g/mol:	386.143056
ΔH_f, kcal/mol:	-245.12
Dipole, Da:	1.12
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(C=N1)F)NC2=NC(=C(C(=N2)N3CCOCC3)Cl)NC4=CC(=NN4)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations