Geometry & MOs

Info

ID:	281352
PubChem CID:	103913746
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	0.77
IP(EA), eV:	-9.11(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations