Geometry & MOs

Info

ID:	445771
PubChem CID:	135269435
Reduced:	N2C12H19 (2)
Stoich.:	A2B12C19 (2)
Weight, g/mol:	444.160912
ΔH_f, kcal/mol:	40.68
Dipole, Da:	3.47
IP(EA), eV:	-6.98(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclohexa-1,5-dien-1-ylmethyl)-8-(3,5-difluorophenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C(=C)N(C2=C1N(C(N2C)C3=CC=CC=C3C(C)C)CCC(C)C)C

DOS

IR

Vibrations