Geometry & MOs

Info

ID:	331117
PubChem CID:	127248524
Reduced:	F2O2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	446.208469
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	2.48
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CCC3=CC=CC=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations