Geometry & MOs

Info

ID:	66225
PubChem CID:	46500460
Reduced:	BrNO2F3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	425.02383
ΔH_f, kcal/mol:	-184.05
Dipole, Da:	8.26
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations