Geometry & MOs

Info

ID:	208977
PubChem CID:	80608950
Reduced:	OSN5C11H19 (1)
Stoich.:	ABC5D11E19 (1)
Weight, g/mol:	241.136117
ΔH_f, kcal/mol:	28.39
Dipole, Da:	4.79
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,3,4-trimethylpiperazin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN(CCC#N)CCOC

DOS

IR

Vibrations