Geometry & MOs

Info

ID:	445734
PubChem CID:	135269189
Reduced:	F3O3N5C21H24 (1)
Stoich.:	A3B3C5D21E24 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-196.1
Dipole, Da:	3.75
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-dimethyl-7-(3-methylbutyl)-2-methylidene-8-propan-2-yloxy-1-propyl-8H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(N=C1C3=CC(=CC=C3)C(F)(F)F)N(C(=O)N(C2=O)CCCN=O)C

DOS

IR

Vibrations