Geometry & MOs

Info

ID:	299487
PubChem CID:	117686932
Reduced:	OF2N5H13C21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	400.113567
ΔH_f, kcal/mol:	8.9
Dipole, Da:	3.57
IP(EA), eV:	-9.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-difluoro-4-quinolin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC2=NC=CN2C=C1C3=CC(=C(C(=C3)F)CN4C5=C(C=NC=C5)N=CC4=O)F

DOS

IR

Vibrations