Geometry & MOs

Info

ID:	333063
PubChem CID:	127251487
Reduced:	ClO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	2.22
IP(EA), eV:	-9.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[4-[(2-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CN=C(N=C3C)N)CC4=CC=CC=C4Cl

DOS

IR

Vibrations