Geometry & MOs

Info

ID:	347037
PubChem CID:	127271541
Reduced:	F2O2N5C11H15 (1)
Stoich.:	A2B2C5D11E15 (1)
Weight, g/mol:	347.170588
ΔH_f, kcal/mol:	-160.52
Dipole, Da:	5.29
IP(EA), eV:	-9.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCC2=NC=CN2C(F)F

DOS

IR

Vibrations