Geometry & MOs

Info

ID:	361394
PubChem CID:	127303260
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	33.61
Dipole, Da:	3.26
IP(EA), eV:	-9.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations