Geometry & MOs

Info

ID:	435343
PubChem CID:	135191254
Reduced:	O2N7C15H15 (1)
Stoich.:	A2B7C15D15 (1)
Weight, g/mol:	441.167825
ΔH_f, kcal/mol:	87.87
Dipole, Da:	8.46
IP(EA), eV:	-8.34(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-[[3-(diethoxyphosphanylmethyl)phenyl]methyl]-2-pyrazol-1-yl-7H-purin-8-one

Drug info:

PubChemData

Smile

CC1=N/C(=C\2/NC(C3=NC(=O)N(C3=N2)CC4=CC=CC=C4)N)/ON1

DOS

IR

Vibrations