Geometry & MOs

Info

ID:	25674
PubChem CID:	628377
Reduced:	BrClNOH9C13 (1)
Stoich.:	ABCDE9F13 (1)
Weight, g/mol:	311.016077
ΔH_f, kcal/mol:	22.96
Dipole, Da:	3.4
IP(EA), eV:	-9.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)iminomethyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NC2=CC(=C(C=C2)Br)Cl)O

DOS

IR

Vibrations