Geometry & MOs

Info

ID:	408755
PubChem CID:	135081523
Reduced:	ON5H12C18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	341.172599
ΔH_f, kcal/mol:	168.89
Dipole, Da:	8.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.554525
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(hexylcarbamoylamino)-4-oxo-1H-pyrimidin-6-yl]benzenediazonium

Drug info:

PubChemData

Smile

CC1(C(=C(C(=C(C#N)C#N)O1)C#N)/C=C/C2=CC=C(C=C2)[N+]#N)C

DOS

IR

Vibrations