Geometry & MOs

Info

ID:	211808
PubChem CID:	81054268
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-27.56
Dipole, Da:	7.48
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(furan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCN(CCO)C1=C(C(=NC(=C1)C)C)C(=S)N

DOS

IR

Vibrations