Geometry & MOs

Info

ID:	276740
PubChem CID:	103824854
Reduced:	ON5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	33.37
Dipole, Da:	1.61
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC=C1CNC(=O)C2=NC=NN2

DOS

IR

Vibrations