Geometry & MOs

Info

ID:	177814
PubChem CID:	76234653
Reduced:	F2N5O5C23H29 (1)
Stoich.:	A2B5C5D23E29 (1)
Weight, g/mol:	416.20597
ΔH_f, kcal/mol:	-270.97
Dipole, Da:	2.6
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-7-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)methyl 2-(2,6-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCNC(=O)C3=C(C=C(C=C3)F)F)CC

DOS

IR

Vibrations