Geometry & MOs

Info

ID:	294918
PubChem CID:	117505267
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-61.61
Dipole, Da:	4.28
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-methoxy-2-(thian-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CC=C2C3=NC4=CC=CC=C4O3)C(=O)O

DOS

IR

Vibrations