Geometry & MOs

Info

ID:	179531
PubChem CID:	76494597
Reduced:	NOC12H20 (2)
Stoich.:	ABC12D20 (2)
Weight, g/mol:	240.082267
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	4.4
IP(EA), eV:	-8.76(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5,5-difluoropent-4-enyl)-5H-purin-6-one

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4=CC(CCC4(C3CC2)C)(C=NOCCN(C)C)O

DOS

IR

Vibrations