Geometry & MOs

Info

ID:	239959
PubChem CID:	93373996
Reduced:	ON5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-11.58
Dipole, Da:	4.12
IP(EA), eV:	-9.44(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](C1)C2=NN=CN2C)N

DOS

IR

Vibrations