Geometry & MOs

Info

ID:	252693
PubChem CID:	103113280
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	4.49
IP(EA), eV:	-9.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CSC=C2)C(=O)OCC(C)C

DOS

IR

Vibrations