Geometry & MOs

Info

ID:	66224
PubChem CID:	46500457
Reduced:	NO2F3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	467.07078
ΔH_f, kcal/mol:	-180.37
Dipole, Da:	7.81
IP(EA), eV:	-9.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CCCOC3=CC=CC=C3)C(=O)C(F)(F)F

DOS

IR

Vibrations