Geometry & MOs

Info

ID:	346698
PubChem CID:	127271202
Reduced:	ClON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	385.141786
ΔH_f, kcal/mol:	94.82
Dipole, Da:	4.33
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCCC(C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations