Geometry & MOs

Info

ID:	179884
PubChem CID:	76549422
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	194.026232
ΔH_f, kcal/mol:	-162.03
Dipole, Da:	0.71
IP(EA), eV:	-10.08(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diazo-1-(2-methylsulfanylpyrimidin-5-yl)ethanone

Drug info:

PubChemData

Smile

CCCCC(CO)COC(=O)C(=CC)C

DOS

IR

Vibrations