Geometry & MOs

Info

ID:	224682
PubChem CID:	85345984
Reduced:	SO4N5C13H19 (1)
Stoich.:	AB4C5D13E19 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	7.23
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11b-benzyl-9,10-dimethoxy-3-methyl-2,3,6,7-tetrahydropyrazino[2,1-a]isoquinoline-1,4-dione

Drug info:

PubChemData

Smile

CCCSCC1C(C(C(O1)N2C=NC3C2=NC(=NC3=O)N)O)O

DOS

IR

Vibrations