Geometry & MOs

Info

ID:	224438
PubChem CID:	85342885
Reduced:	O4C19H25 (1)
Stoich.:	A4B19C25 (1)
Weight, g/mol:	456.204907
ΔH_f, kcal/mol:	-132.81
Dipole, Da:	0.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761600
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C]([CH][CH]C1=CC=CC=C1)C(C=C(O)OC)C(=O)OC

DOS

IR

Vibrations