Geometry & MOs

Info

ID:	331867
PubChem CID:	127250153
Reduced:	FN2O2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	408.164934
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	1.32
IP(EA), eV:	-9.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations