Geometry & MOs

Info

ID:	289907
PubChem CID:	104385441
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	4.39
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(diethylamino)-2-oxoethyl]amino]-6-ethylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC2=C(N=CC=C2)C(=S)N

DOS

IR

Vibrations