Geometry & MOs

Info

ID:	169727
PubChem CID:	75141463
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	448.152239
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	5.55
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(2-methylpropyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C=NC3C2C(=O)N(C(=O)N3C4=CC(=CC=C4)Cl)CC(C)C

DOS

IR

Vibrations