Geometry & MOs

Info

ID:	332461
PubChem CID:	127250747
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	445.151682
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	2.77
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=N2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations