Geometry & MOs

Info

ID:	176458
PubChem CID:	76051102
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	5.16
IP(EA), eV:	-8.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-6-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCC1)C(=O)C2CNNC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations