Geometry & MOs

Info

ID:	162281
PubChem CID:	57394174
Reduced:	OF2N5H27C30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	530.204194
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	8.14
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(2-fluorophenyl)pyridin-3-yl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N3C1=NC(C3)(C)C)N(C(=N2)C4=CC=C(C=C4)C5=CC=CC=C5)CC6=CC(=CC(=C6)F)F

DOS

IR

Vibrations