Geometry & MOs

Info

ID:	85080
PubChem CID:	49871634
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	5.45
IP(EA), eV:	-8.92(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-1-oxidoindol-1-ium-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO)OCC2=[N+](C3=CC=CC=C3C2=O)[O-]

DOS

IR

Vibrations