Geometry & MOs

Info

ID:	331869
PubChem CID:	127250155
Reduced:	FNOH11C12 (2)
Stoich.:	ABCD11E12 (2)
Weight, g/mol:	424.135384
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	2.38
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=C(C=C2)F)C3=NC=C(C=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations