Geometry & MOs

Info

ID:	7237
PubChem CID:	71668
Reduced:	NO2C6H7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	125.047678
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	2.7
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxidopyridin-1-ium-3-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations