Geometry & MOs

Info

ID:	127317
PubChem CID:	50998153
Reduced:	BrIOH6C7 (1)
Stoich.:	ABCD6E7 (1)
Weight, g/mol:	309.92575
ΔH_f, kcal/mol:	1.81
Dipole, Da:	2.9
IP(EA), eV:	-9.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-3-iodobenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)I)Br

DOS

IR

Vibrations