Geometry & MOs

Info

ID:	286542
PubChem CID:	104170973
Reduced:	INO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	347.00184
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	1.79
IP(EA), eV:	-9.67(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-4-(2-methoxypropyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2=C(C1=O)C(=CC=C2)I)OC

DOS

IR

Vibrations