Geometry & MOs

Info

ID:	317686
PubChem CID:	126645018
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	367.01835
ΔH_f, kcal/mol:	0.85
Dipole, Da:	5.44
IP(EA), eV:	-8.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)indole

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=C(N=CC(=C1)C2=CN(N=C2)C)N)OCC3=CC=CC=C3

DOS

IR

Vibrations