Geometry & MOs

Info

ID:	332474
PubChem CID:	127250760
Reduced:	ClN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	419.202048
ΔH_f, kcal/mol:	-92.59
Dipole, Da:	2.57
IP(EA), eV:	-9.11(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations