Geometry & MOs

Info

ID:	218115
PubChem CID:	85088902
Reduced:	FO3N5H18C23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	25.29
Dipole, Da:	4.33
IP(EA), eV:	-9.27(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[2,2-bis(phenylmethoxymethyl)cyclopropyl]-2,3,4,5-tetrahydro-1H-purin-6-one

Drug info:

PubChemData

Smile

C1CC2(CCC1C3=NC4=NC(=NC=C4N3)C5=CC=C(C=C5)F)C6C(=CC=NC6=O)C(=O)O2

DOS

IR

Vibrations