Geometry & MOs

Info

ID:	193675
PubChem CID:	78422754
Reduced:	NO3C19H24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.198327
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methylphenyl)-2-oxoethyl]-1,6,7,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)O)OCC

DOS

IR

Vibrations