Geometry & MOs

Info

ID:	150008
PubChem CID:	53789692
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-132.1
Dipole, Da:	0.81
IP(EA), eV:	-9.49(1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]but-3-ynyl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCC1(CC[C@@H]([C@H](C1O)O)N)C

DOS

IR

Vibrations