Geometry & MOs

Info

ID:	445762
PubChem CID:	135269364
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	3.1
IP(EA), eV:	-8.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-methoxy-3-methyl-8-[(E,1E)-1-(2-methylcyclopropylidene)hept-3-en-3-yl]oxy-2,7-dihydropurin-6-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(N2CCC(C)C)OC3=CC=C(C=C3)F)N(C1=O)C

DOS

IR

Vibrations