Geometry & MOs

Info

ID:	239957
PubChem CID:	93373970
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-69.89
Dipole, Da:	4.46
IP(EA), eV:	-8.59(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CNC(=O)CN)C2=CC=CN2

DOS

IR

Vibrations