Geometry & MOs

Info

ID:	352771
PubChem CID:	127283860
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	56.6
Dipole, Da:	5.77
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC(=O)N3C=CC=CC3=N2)N4C=NC=N4

DOS

IR

Vibrations