Geometry & MOs

Info

ID:	242244
PubChem CID:	96079761
Reduced:	FOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	241.090292
ΔH_f, kcal/mol:	-60.96
Dipole, Da:	1.75
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(2-fluorophenyl)-hydroxymethyl]-4-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1[C@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations