Geometry & MOs

Info

ID:	333632
PubChem CID:	127252184
Reduced:	FN3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	405.14887
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	4.97
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[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=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations