Geometry & MOs

Info

ID:	355294
PubChem CID:	127288251
Reduced:	N7C17H25 (1)
Stoich.:	A7B17C25 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	75.41
Dipole, Da:	4.84
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-[2-(1,2,4-triazol-1-yl)propanoylamino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=NC=N2)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations