Geometry & MOs

Info

ID:	331127
PubChem CID:	127248534
Reduced:	ClN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	445.147156
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	3.77
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CC3CCCCC3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations