Geometry & MOs

Info

ID:	360260
PubChem CID:	127300903
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	9.34
Dipole, Da:	14.26
IP(EA), eV:	-9.34(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=C(NC3=O)C4=CC=CC=N4

DOS

IR

Vibrations