Geometry & MOs

Info

ID:

309770

PubChem CID:

126558076

Reduced:

F2O3N5H25C28 (1)

Stoich.:

A2B3C5D25E28 (1)

Weight, g/mol:

487.145596

ΔHf, kcal/mol:

-75.27

Dipole, Da:

6.76

IP(EA), eV:

 -9.24(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9aS)-7-[2,6-difluoro-4-(2-phenylethynyl)phenyl]-9a-methyl-2-pyridazin-4-yl-4,9-dihydro-3H-pyrazino[1,2-c]pyrimidine-1,6,8-trione

Drug info:

PubChemData

Smile

CC12CC(=O)N(C(=O)N1CCN(C2=O)CCC3=CN(N=C3)C)C4=C(C=C(C=C4F)C#CC5=CC=CC=C5)F

DOS

IR

Vibrations