Geometry & MOs

Info

ID:	332462
PubChem CID:	127250748
Reduced:	ClO4N5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	443.141197
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	5.31
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations