Geometry & MOs

Info

ID:	318511
PubChem CID:	126651584
Reduced:	FNO4C28H30 (1)
Stoich.:	ABC4D28E30 (1)
Weight, g/mol:	513.212693
ΔH_f, kcal/mol:	-149.87
Dipole, Da:	2.18
IP(EA), eV:	-8.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-[2-(trifluoromethyl)phenyl]phenoxy]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)COC1=C(C=C(C=C1)N2CCC(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4F)OC

DOS

IR

Vibrations