Geometry & MOs

Info

ID:	355546
PubChem CID:	127288616
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	33.67
Dipole, Da:	6.09
IP(EA), eV:	-9.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CN=CN3

DOS

IR

Vibrations