Geometry & MOs

Info

ID:	48286
PubChem CID:	10538622
Reduced:	FN2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	4.38
IP(EA), eV:	-9.07(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1,7-dipropylpurin-6-one

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)F)NCCNC2=NC(=CC=C2)F

DOS

IR

Vibrations