Geometry & MOs

Info

ID:	80402
PubChem CID:	49834308
Reduced:	FNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	338.179442
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	5.35
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)OC)N[C@H]2CCC(C2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations