Geometry & MOs

Info

ID:	294546
PubChem CID:	117469032
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	290.131823
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	2.26
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NO2)N)OC3CCOCC3

DOS

IR

Vibrations