Geometry & MOs

Info

ID:	299484
PubChem CID:	117686924
Reduced:	FON2H7C10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	400.113567
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	2.15
IP(EA), eV:	-9.41(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluoro-4-isoquinolin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C2=CC(=C(C(=C2)F)CN3C4=C(C=CN=C4)N=CC3=O)F

DOS

IR

Vibrations