Geometry & MOs

Info

ID:	162280
PubChem CID:	57394172
Reduced:	FON5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	511.218367
ΔH_f, kcal/mol:	33.77
Dipole, Da:	8.23
IP(EA), eV:	-8.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(4-phenylphenyl)-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=C(C=C6)F

DOS

IR

Vibrations