Geometry & MOs

Info

ID:	85085
PubChem CID:	49871683
Reduced:	NO4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	2.59
IP(EA), eV:	-8.95(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-1-oxidoindol-1-ium-3-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=C3

DOS

IR

Vibrations