Geometry & MOs

Info

ID:	332464
PubChem CID:	127250750
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	403.166269
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	2.62
IP(EA), eV:	-9.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations