Geometry & MOs

Info

ID:	161066
PubChem CID:	57390663
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	542.22418
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	1.12
IP(EA), eV:	-8.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)OC)N

DOS

IR

Vibrations