Geometry & MOs

Info

ID:	171763
PubChem CID:	75423305
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	83.17
Dipole, Da:	4.65
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)(C)NCC2=NC(=NO2)C3=CC=CC=N3

DOS

IR

Vibrations