Geometry & MOs

Info

ID:	254539
PubChem CID:	103125995
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	186.082684
ΔH_f, kcal/mol:	67.48
Dipole, Da:	5.0
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CCNC(CC1=CC=C(C=C1)Cl)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations