Geometry & MOs

Info

ID:	332438
PubChem CID:	127250724
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	-42.19
Dipole, Da:	2.96
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations