Geometry & MOs

Info

ID:	296043
PubChem CID:	117552444
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	5.1
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-ethoxyphenyl)-5-methyl-1H-imidazol-2-yl]ethanethiol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(NC(=N2)C=O)C

DOS

IR

Vibrations