Geometry & MOs

Info

ID:	167221
PubChem CID:	74795025
Reduced:	FON4C25H25 (1)
Stoich.:	ABC4D25E25 (1)
Weight, g/mol:	348.139782
ΔH_f, kcal/mol:	10.68
Dipole, Da:	6.47
IP(EA), eV:	-8.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)F)C3=NC=C(C=C3)NC(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations