Geometry & MOs

Info

ID:	171962
PubChem CID:	75446170
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	5.34
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(4-methylpentylsulfonylmethyl)imidazole

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations