Geometry & MOs

Info

ID:	268593
PubChem CID:	103600144
Reduced:	INO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	345.02258
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	3.42
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-(2-hydroxy-5-iodophenyl)methanone

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations