Geometry & MOs

Info

ID:	317665
PubChem CID:	126644890
Reduced:	ClN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	276.9714
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	0.88
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-methyl-6-(trifluoromethyl)indole

Drug info:

PubChemData

Smile

CONC(=O)CC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations