Geometry & MOs

Info

ID:	355543
PubChem CID:	127288613
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	38.68
Dipole, Da:	1.23
IP(EA), eV:	-9.1(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CN=CN3

DOS

IR

Vibrations