Geometry & MOs

Info

ID:	42966
PubChem CID:	10317452
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	3.35
IP(EA), eV:	-8.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[5-(4-propylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CN(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations