Geometry & MOs

Info

ID:	299488
PubChem CID:	117686933
Reduced:	OF2N4H14C23 (1)
Stoich.:	AB2C4D14E23 (1)
Weight, g/mol:	400.113567
ΔH_f, kcal/mol:	1.73
Dipole, Da:	5.48
IP(EA), eV:	-9.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluoro-4-isoquinolin-7-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=N2)C3=CC(=C(C(=C3)F)CN4C5=C(C=NC=C5)N=CC4=O)F

DOS

IR

Vibrations