Geometry & MOs

Info

ID:	372158
PubChem CID:	131293915
Reduced:	N5C9H11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	441.76994
ΔH_f, kcal/mol:	82.59
Dipole, Da:	3.39
IP(EA), eV:	-8.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(bromomethyl)-2-(difluoromethoxy)-4-iodobenzene

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C(=C2)C#N)N

DOS

IR

Vibrations