Geometry & MOs

Info

ID:	169717
PubChem CID:	75141245
Reduced:	F2O2N4C23H24 (1)
Stoich.:	A2B2C4D23E24 (1)
Weight, g/mol:	454.177168
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	4.54
IP(EA), eV:	-9.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2C(N=CN2CC3=CC=CC=C3F)N(C1=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations