Geometry & MOs

Info

ID:	9125
PubChem CID:	86335
Reduced:	N2O2C11H13 (1)
Stoich.:	A2B2C11D13 (1)
Weight, g/mol:	205.097703
ΔH_f, kcal/mol:	40.13
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065978
Charge, e:	1

Chem-info

IUPAC name:

N-[[1-(but-3-ynoxymethyl)pyridin-1-ium-4-yl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

C#CCCOC[N+]1=CC=C(C=C1)C=NO

DOS

IR

Vibrations