Geometry & MOs

Info

ID:	66228
PubChem CID:	46500463
Reduced:	BrN2F3O3H14C19 (1)
Stoich.:	AB2C3D3E14F19 (1)
Weight, g/mol:	455.03439
ΔH_f, kcal/mol:	-200.19
Dipole, Da:	6.24
IP(EA), eV:	-8.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations