Geometry & MOs

Info

ID:	60258
PubChem CID:	26676021
Reduced:	NO4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	246.064057
ΔH_f, kcal/mol:	-19.2
Dipole, Da:	2.43
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitrophenyl)methoxy]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2)OCC3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations