Geometry & MOs

Info

ID:	372026
PubChem CID:	131287489
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	347.82137
ΔH_f, kcal/mol:	23.29
Dipole, Da:	7.35
IP(EA), eV:	-9.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-chloro-3-fluoro-4-iodobenzene

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2CC2)CC(C#N)N

DOS

IR

Vibrations