Geometry & MOs

Info

ID:	208943
PubChem CID:	80606281
Reduced:	OSN4C12H22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	270.115047
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	4.83
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)CN2CCOC(C2)(C)C

DOS

IR

Vibrations