Geometry & MOs

Info

ID:	392486
PubChem CID:	135016889
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	0.83
Dipole, Da:	3.24
IP(EA), eV:	-8.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-tert-butyl-5-methoxyphenyl)-1H-indole

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations