Geometry & MOs

Info

ID:	374434
PubChem CID:	131329356
Reduced:	IN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	291.97087
ΔH_f, kcal/mol:	-58.92
Dipole, Da:	3.03
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-diamino-6-iodobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1N)N)I

DOS

IR

Vibrations