Geometry & MOs

Info

ID:	279577
PubChem CID:	103844382
Reduced:	ClON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-33.4
Dipole, Da:	3.51
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1-methylpyrazin-2-one

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=CN=CC(=N1)Cl)CO

DOS

IR

Vibrations