Geometry & MOs

Info

ID:	184880
PubChem CID:	77223176
Reduced:	Cl2F3O5N6C17H17 (1)
Stoich.:	A2B3C5D6E17F17 (1)
Weight, g/mol:	324.163791
ΔH_f, kcal/mol:	-257.94
Dipole, Da:	7.06
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-[4-[(2-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(=O)ON1NN=C(N1C)COC2=C(C=C(C(=C2)N3C(=O)CC(N(C3=O)C)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations