Geometry & MOs

Info

ID:	318509
PubChem CID:	126651581
Reduced:	BrN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	6.66
IP(EA), eV:	-8.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-(3-fluoro-4-methylphenoxy)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC(C2=O)OC3=CN=C(C=C3)Br)OCC(C)(C)C

DOS

IR

Vibrations