Geometry & MOs

Info

ID:	189391
PubChem CID:	77849395
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-6.07
Dipole, Da:	4.0
IP(EA), eV:	-8.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyphenyl)-1-[1-(3-methylbut-2-enyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC2=CC=NN2C(=C1)N3CCC4(CCCCC4C3)O

DOS

IR

Vibrations