Geometry & MOs

Info

ID:	126617
PubChem CID:	50970268
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	367.14331
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	0.54
IP(EA), eV:	-8.61(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-isoquinolin-5-yl-4-phenylimidazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(CC2)C3=CC(=NC(=N3)N)N4CCOCC4

DOS

IR

Vibrations