Geometry & MOs

Info

ID:	332403
PubChem CID:	127250689
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-85.83
Dipole, Da:	3.27
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1-[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CC4(CCCCC4)O

DOS

IR

Vibrations