Geometry & MOs

Info

ID:	327150
PubChem CID:	126689108
Reduced:	ON2Cl4H6C12 (1)
Stoich.:	AB2C4D6E12 (1)
Weight, g/mol:	520.252606
ΔH_f, kcal/mol:	62.42
Dipole, Da:	5.71
IP(EA), eV:	-9.48(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-phenylmethoxypyrrolidin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+](=NC2=CC(=C(C(=C2Cl)Cl)Cl)Cl)[O-]

DOS

IR

Vibrations