Geometry & MOs

Info

ID:	66222
PubChem CID:	46500452
Reduced:	BrN2O2F3H16C20 (1)
Stoich.:	AB2C2D3E16F20 (1)
Weight, g/mol:	403.175914
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	6.2
IP(EA), eV:	-9.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-tert-butylphenoxy)ethyl]-2-methylindol-3-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F)C

DOS

IR

Vibrations