Geometry & MOs

Info

ID:	275100
PubChem CID:	103813802
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	21.51
Dipole, Da:	3.03
IP(EA), eV:	-9.69(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)[C@@H](C2=CC=CC=C2)N

DOS

IR

Vibrations