Geometry & MOs

Info

ID:	144218
PubChem CID:	53333300
Reduced:	FO4N5H14C20 (1)
Stoich.:	AB4C5D14E20 (1)
Weight, g/mol:	381.103731
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	7.19
IP(EA), eV:	-9.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC3=NC=C4C(=N3)NC(=O)N(C4=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations