Geometry & MOs

Info

ID:	247172
PubChem CID:	103068440
Reduced:	SN5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	227.109233
ΔH_f, kcal/mol:	89.31
Dipole, Da:	7.49
IP(EA), eV:	-9.03(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)CSC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations