Geometry & MOs

Info

ID:	66227
PubChem CID:	46500462
Reduced:	BrN2O2F3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	454.01399
ΔH_f, kcal/mol:	-212.82
Dipole, Da:	5.79
IP(EA), eV:	-9.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations