Geometry & MOs

Info

ID:	333742
PubChem CID:	127252294
Reduced:	O2F3N4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-143.59
Dipole, Da:	2.78
IP(EA), eV:	-9.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NN2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations