Geometry & MOs

Info

ID:	57674
PubChem CID:	22432100
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	324.085855
ΔH_f, kcal/mol:	12.3
Dipole, Da:	7.83
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCNCC(CN2C(=NN=N2)C3=CC=CC=C3)O

DOS

IR

Vibrations