Geometry & MOs

Info

ID:	411009
PubChem CID:	135083814
Reduced:	N2O2C6H9 (1)
Stoich.:	A2B2C6D9 (1)
Weight, g/mol:	343.92696
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765427
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine

Drug info:

PubChemData

Smile

CC(=C)/C(=C(\O)/OC)/[N+]#N

DOS

IR

Vibrations