Geometry & MOs

Info

ID:	199439
PubChem CID:	79246033
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	5.23
Dipole, Da:	6.27
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-hydroxy-3-methylbutan-2-yl)amino]-1-propylpyrazin-2-one

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=CN=NC2=CC=CC=C21

DOS

IR

Vibrations