Geometry & MOs

Info

ID:	191271
PubChem CID:	78124051
Reduced:	PO4N5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	387.109641
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	5.7
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-aminopurin-9-yl)-1-phenylcyclopent-2-en-1-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

CCOP(=O)(COC1(CC(C=C1)N2C=NC3=C(N=CN=C32)N)C4=CC=CC=C4)OCC

DOS

IR

Vibrations