Geometry & MOs

Info

ID:	333727
PubChem CID:	127252279
Reduced:	O2F3N3H22C24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	5.57
IP(EA), eV:	-9.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=NC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations