Geometry & MOs

Info

ID:	361408
PubChem CID:	127303274
Reduced:	FO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	384.165837
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	4.11
IP(EA), eV:	-9.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations