Geometry & MOs

Info

ID:	176840
PubChem CID:	76104524
Reduced:	O7C12H22 (1)
Stoich.:	A7B12C22 (1)
Weight, g/mol:	430.16325
ΔH_f, kcal/mol:	-330.36
Dipole, Da:	2.46
IP(EA), eV:	-10.42(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-8-[3-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,4,7,9,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-5,8-diene-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC(C(=O)C(C(CO)O)O)O

DOS

IR

Vibrations