Geometry & MOs

Info

ID:	299489
PubChem CID:	117686940
Reduced:	OF2N4H14C23 (1)
Stoich.:	AB2C4D14E23 (1)
Weight, g/mol:	389.108816
ΔH_f, kcal/mol:	4.08
Dipole, Da:	2.86
IP(EA), eV:	-9.41(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CN=C2)C3=CC(=C(C(=C3)F)CN4C5=C(C=CN=C5)N=CC4=O)F

DOS

IR

Vibrations