Geometry & MOs

Info

ID:	281354
PubChem CID:	103913749
Reduced:	NSC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	4.29
Dipole, Da:	2.58
IP(EA), eV:	-8.53(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[[[(1S)-1-phenylethyl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCSCCCN[C@@H](C)C1=CC=CC=C1

DOS

IR

Vibrations