Geometry & MOs

Info

ID:	167527
PubChem CID:	74843177
Reduced:	N2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	387.137853
ΔH_f, kcal/mol:	94.97
Dipole, Da:	6.04
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-4-(4-methoxyphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-ium-3-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C(N=C3N2C=CC=N3)C=CC4=CC=CC=C4

DOS

IR

Vibrations