Geometry & MOs

Info

ID:	333631
PubChem CID:	127252183
Reduced:	NOF2H10C12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	405.14887
ΔH_f, kcal/mol:	-214.11
Dipole, Da:	2.96
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(4-fluorobenzoyl)morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations