Geometry & MOs

Info

ID:	184335
PubChem CID:	77146019
Reduced:	NO3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	334.10659
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	2.51
IP(EA), eV:	-10.09(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[3-(1H-benzimidazol-2-yl)-3-oxopropyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(CO)O

DOS

IR

Vibrations