Geometry & MOs

Info

ID:	144216
PubChem CID:	53333242
Reduced:	O4N5H19C22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	393.123718
ΔH_f, kcal/mol:	-69.08
Dipole, Da:	4.92
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations