Geometry & MOs

Info

ID:	400102
PubChem CID:	135045450
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	7.48
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butylperoxy-1-methylindole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=C)OC(C)C=C=C

DOS

IR

Vibrations