Geometry & MOs

Info

ID:	126013
PubChem CID:	50948431
Reduced:	F2O2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-129.92
Dipole, Da:	4.19
IP(EA), eV:	-9.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC(C1=NNC(=O)N1C2=C(C=C(C=C2)F)F)OCC

DOS

IR

Vibrations