Geometry & MOs

Info

ID:	66234
PubChem CID:	46500472
Reduced:	NF3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	441.01874
ΔH_f, kcal/mol:	-217.04
Dipole, Da:	7.37
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CCCOC3=CC=CC=C3OC)C(=O)C(F)(F)F

DOS

IR

Vibrations