Geometry & MOs

Info

ID:	331868
PubChem CID:	127250154
Reduced:	FNOH11C12 (2)
Stoich.:	ABCD11E12 (2)
Weight, g/mol:	408.164934
ΔH_f, kcal/mol:	-105.19
Dipole, Da:	1.34
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-[5-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=C(C=C2)F)C3=NC=C(C=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations