Geometry & MOs

Info

ID:	331147
PubChem CID:	127248554
Reduced:	ClN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	445.21322
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-3-cyclopentylpropan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CCC3CCCC3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations