Geometry & MOs

Info

ID:	352786
PubChem CID:	127283875
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-26.03
Dipole, Da:	4.83
IP(EA), eV:	-9.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclohexyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC(=O)NC2CC2)N3C=NC=N3

DOS

IR

Vibrations