Geometry & MOs

Info

ID:	304572
PubChem CID:	124756321
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	2.7
IP(EA), eV:	-9.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-oxo-1-prop-2-enyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCN1C[C@@H](CCC1=O)C(=O)NCCN2C=NC=N2

DOS

IR

Vibrations