Geometry & MOs

Info

ID:	331187
PubChem CID:	127248594
Reduced:	FO4N5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	449.175084
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	4.76
IP(EA), eV:	-9.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-2-yl-[2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4F)C

DOS

IR

Vibrations