Geometry & MOs

Info

ID:	56587
PubChem CID:	17436453
Reduced:	SN4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	379.144453
ΔH_f, kcal/mol:	51.41
Dipole, Da:	2.69
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CCCCSC1=NC=C(C(=N1)N)C#N

DOS

IR

Vibrations