Geometry & MOs

Info

ID:	227599
PubChem CID:	87562067
Reduced:	NC10H18 (2)
Stoich.:	AB10C18 (2)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	84.28
Dipole, Da:	1.64
IP(EA), eV:	-7.01(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3-(hydroxymethyl)-2-methylphenyl]ethyl]-1,3-dihydroimidazole-2-thione

Drug info:

PubChemData

Smile

C1CC/C=C\CCCC(CC1)N2CCCC=CCCCCN2

DOS

IR

Vibrations