Geometry & MOs

Info

ID:	239958
PubChem CID:	93373986
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-4.38
Dipole, Da:	7.92
IP(EA), eV:	-9.61(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NN=C1[C@@H]2CCCN(C2)C(=O)CN

DOS

IR

Vibrations