Geometry & MOs

Info

ID:	319329
PubChem CID:	126655672
Reduced:	IN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	301.01023
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	6.18
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-phenylmethoxy-1H-indole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CN2C1=CC(=N2)I)O

DOS

IR

Vibrations