Geometry & MOs

Info

ID:	184678
PubChem CID:	77191833
Reduced:	F2N2O5C20H22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	-260.41
Dipole, Da:	10.09
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-9-propan-2-yl-4,5-dihydro-3H-purin-6-one

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C1=CC(=C(C=C1F)NCCC2=CC(=C(C=C2)OC)OC)F

DOS

IR

Vibrations