Geometry & MOs

Info

ID:	257145
PubChem CID:	103144049
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	260.075012
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	4.55
IP(EA), eV:	-9.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-1-methyl-2-[(5-methyloxolan-2-yl)methylsulfanyl]imidazole

Drug info:

PubChemData

Smile

CCC(C1=CC=CC2=C1C=NC=C2)C(=O)O

DOS

IR

Vibrations