Geometry & MOs

Info

ID:	373617
PubChem CID:	131317916
Reduced:	O2F3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	312.92115
ΔH_f, kcal/mol:	-223.71
Dipole, Da:	5.31
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethoxy)-2-fluoro-3-iodobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CO)F)OC(F)F

DOS

IR

Vibrations