Geometry & MOs

Info

ID:	309769
PubChem CID:	126557983
Reduced:	FSN6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	517.192546
ΔH_f, kcal/mol:	40.05
Dipole, Da:	4.84
IP(EA), eV:	-8.66(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=S)NNC2=C3C(=NCC2)C=C(C=N3)F

DOS

IR

Vibrations