Geometry & MOs

Info

ID:	204448
PubChem CID:	79967336
Reduced:	OF3N3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	211.077933
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	9.11
IP(EA), eV:	-9.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(2-methylsulfanylethyl)-3-prop-2-ynyl-4H-imidazol-2-one

Drug info:

PubChemData

Smile

C#CCN1C(=O)N=C(C12CCCC(C2)C(F)(F)F)N

DOS

IR

Vibrations