Geometry & MOs

Info

ID:	79046
PubChem CID:	49746528
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	381.075882
ΔH_f, kcal/mol:	80.24
Dipole, Da:	3.04
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-2-yl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations