Geometry & MOs

Info

ID:	333680
PubChem CID:	127252232
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	4.47
IP(EA), eV:	-9.01(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations