Geometry & MOs

Info

ID:	331866
PubChem CID:	127250152
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	404.190006
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	4.7
IP(EA), eV:	-8.76(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CC2=CN=C(C=C2)C3CN(CCO3)CC4CC4

DOS

IR

Vibrations