Geometry & MOs

Info

ID:	193511
PubChem CID:	78402638
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	336.082267
ΔH_f, kcal/mol:	-2.76
Dipole, Da:	5.47
IP(EA), eV:	-8.61(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-bis(3-fluorophenyl)-4aH-pteridin-4-one

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2C(=O)C(=C3NC4C=CC=CC4=N3)C1=O

DOS

IR

Vibrations