Geometry & MOs

Info

ID:	257007
PubChem CID:	103143030
Reduced:	ION2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	359.00184
ΔH_f, kcal/mol:	14.65
Dipole, Da:	5.99
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-3-[(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CN=C2C3=CC=C(C=C3)I

DOS

IR

Vibrations