Geometry & MOs

Info

ID:	360272
PubChem CID:	127300915
Reduced:	ON8C20H24 (1)
Stoich.:	AB8C20D24 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	78.21
Dipole, Da:	10.89
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)N3CCN4C(=NN=C4C(C)C)C3

DOS

IR

Vibrations