Geometry & MOs

Info

ID:	292636
PubChem CID:	117356076
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-34.0
Dipole, Da:	3.87
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(isocyanatomethyl)-1,4-dimethoxy-5-methylbenzene

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=C(C=C2)O)Cl)F)N

DOS

IR

Vibrations