Geometry & MOs

Info

ID:	49025
PubChem CID:	11528627
Reduced:	O2N4C10H11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	218.036128
ΔH_f, kcal/mol:	39.82
Dipole, Da:	8.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.973762
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl nitrate

Drug info:

PubChemData

Smile

C/C(=N\N)/C1=CC(=CC=C1)[N+]2=CC(=O)ON2

DOS

IR

Vibrations