Geometry & MOs

Info

ID:	304571
PubChem CID:	124756320
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	3.59
IP(EA), eV:	-9.06(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CCCN(C2)C(=O)CCCN3CCCC3=O

DOS

IR

Vibrations