Geometry & MOs

Info

ID:	284716
PubChem CID:	104063153
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	0.46
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propoxypyridin-2-yl)imidazole-2-carbothioamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN1C2=C(C=CC=N2)OC

DOS

IR

Vibrations