Geometry & MOs

Info

ID:	190962
PubChem CID:	78086855
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-94.58
Dipole, Da:	5.54
IP(EA), eV:	-8.57(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6,6-dioxo-4-propanoyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl)methyl]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1CCCN(CC1)CC2CN(CC2CO)C(=O)C3=CC=C(O3)CN(C)C

DOS

IR

Vibrations