Geometry & MOs

Info

ID:	176571
PubChem CID:	76067085
Reduced:	N3O3C5H6 (1)
Stoich.:	A3B3C5D6 (1)
Weight, g/mol:	610.237824
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	5.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817846
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis[(2-hydroxyphenyl)methoxy]hexane-3,4-diol

Drug info:

PubChemData

Smile

COC[N+]1=CN=NC(=O)C1=O

DOS

IR

Vibrations