Geometry & MOs

Info

ID:	368449
PubChem CID:	127328716
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	7.03
IP(EA), eV:	-9.47(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)NC(C)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations