Geometry & MOs

Info

ID:	281363
PubChem CID:	103913763
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	1.44
IP(EA), eV:	-9.05(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations