Geometry & MOs

Info

ID:	374637
PubChem CID:	131342064
Reduced:	FINOH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	276.93999
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	4.17
IP(EA), eV:	-9.91(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(hydroxymethyl)-2-iodobenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)I)F)CO

DOS

IR

Vibrations