Geometry & MOs

Info

ID:	285803
PubChem CID:	104133802
Reduced:	OSN2C12H26 (1)
Stoich.:	ABC2D12E26 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	7.57
IP(EA), eV:	-8.24(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=S)NCCCCOC(C)C

DOS

IR

Vibrations