Geometry & MOs

Info

ID:	331126
PubChem CID:	127248533
Reduced:	ClN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	445.21322
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	2.84
IP(EA), eV:	-9.21(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)C3CCCCC3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations