Geometry & MOs

Info

ID:	167222
PubChem CID:	74795240
Reduced:	F2O2N4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	336.139782
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	5.08
IP(EA), eV:	-9.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-7-ethyl-1-propan-2-yl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2C(N=CN2CC=C)N(C1=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations