Geometry & MOs

Info

ID:	179972
PubChem CID:	76559844
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.2
IP(EA), eV:	-7.88(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-3-(2-phenylethylsulfinyl)pyrazin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N)OC2CCCC2O

DOS

IR

Vibrations