Geometry & MOs

Info

ID:	375290
PubChem CID:	131485319
Reduced:	FNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	349.91822
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	3.51
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

C1=CC(=C2C(=CSC2=C1CC#N)CO)F

DOS

IR

Vibrations