Geometry & MOs

Info

ID:	134330
PubChem CID:	51681920
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	289.065176
ΔH_f, kcal/mol:	-18.15
Dipole, Da:	2.71
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=NC=C1)NC2=NN(C(=O)N(C2=O)C)C

DOS

IR

Vibrations