Geometry & MOs

Info

ID:	273446
PubChem CID:	103771134
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	2.36
IP(EA), eV:	-9.94(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-6-oxo-1H-pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CSN=N1)O

DOS

IR

Vibrations