Geometry & MOs

Info

ID:	259520
PubChem CID:	103167313
Reduced:	SN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	54.76
Dipole, Da:	3.87
IP(EA), eV:	-9.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(cyclobutylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC(C1)CC2=NN=C(S2)CCNC3CC3

DOS

IR

Vibrations