Geometry & MOs

Info

ID:	356495
PubChem CID:	127291642
Reduced:	FON5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	370.186572
ΔH_f, kcal/mol:	1.99
Dipole, Da:	3.71
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations