Geometry & MOs

Info

ID:	7663
PubChem CID:	73679
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	3.4
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)pyrazin-2-one

Drug info:

PubChemData

Smile

CCC(C)(C1=CN=C(C(=O)N1O)CC(C)C)O

DOS

IR

Vibrations