Geometry & MOs

Info

ID:	332515
PubChem CID:	127250801
Reduced:	ClO3N6C21H23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	432.156433
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	3.41
IP(EA), eV:	-9.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl)N

DOS

IR

Vibrations