Geometry & MOs

Info

ID:	209095
PubChem CID:	80623438
Reduced:	OSF3N3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	9.07
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-phenylmethoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC1NCC2=NN=C(S2)OC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations