Geometry & MOs

Info

ID:	314204
PubChem CID:	126620899
Reduced:	FNO7C24H30 (1)
Stoich.:	ABC7D24E30 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-331.6
Dipole, Da:	2.51
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(diazenylmethyl)-3-methoxy-2-methylphenoxy]propan-1-ol

Drug info:

PubChemData

Smile

CC(=O)NCCC1=C(C(=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H](C(O2)(C)C)OC)O)O)O)C3=CC(=CC=C3)F

DOS

IR

Vibrations