Geometry & MOs

Info

ID:	130786
PubChem CID:	51107628
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	28.01
Dipole, Da:	6.62
IP(EA), eV:	-9.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCC2=CC=CC=C2C1)C(=O)C3=CN4C(=NN=C4C=C3)C

DOS

IR

Vibrations