Geometry & MOs

Info

ID:	430337
PubChem CID:	135170401
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	487.145596
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	3.76
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CC#CC1=CC(=C(C=C1)C2C(=O)[C@@H]3[C@H](C2=O)C4CCC3O4)OC

DOS

IR

Vibrations