Geometry & MOs

Info

ID:	188958
PubChem CID:	77794249
Reduced:	NCl2O2F3H22C26 (1)
Stoich.:	AB2C2D3E22F26 (1)
Weight, g/mol:	324.216141
ΔH_f, kcal/mol:	-169.66
Dipole, Da:	2.63
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-hydroxy-5-methylhexyl)-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(=CCC=C)CCNC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations