Geometry & MOs

Info

ID:	279557
PubChem CID:	103844323
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	2.51
IP(EA), eV:	-8.89(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC(=CC(=N1)C)C)CO

DOS

IR

Vibrations