Geometry & MOs

Info

ID:	143870
PubChem CID:	53273395
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	36.35
Dipole, Da:	4.42
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(cyclopentylamino)methyl]-3-phenyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=CN=C(S2)CNCCC3=CC=CC=C3OC

DOS

IR

Vibrations