Geometry & MOs

Info

ID:	373228
PubChem CID:	131311914
Reduced:	IO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	302.97563
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	5.28
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-5-iodo-7-methyl-1,2-benzoxazole

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C(=C1)C)I)C=O

DOS

IR

Vibrations