Geometry & MOs

Info

ID:	176640
PubChem CID:	76076259
Reduced:	O3N8C27H29 (1)
Stoich.:	A3B8C27D29 (1)
Weight, g/mol:	754.350569
ΔH_f, kcal/mol:	42.75
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.881257
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=C)C1=[N+](C2C(=N1)N(C(=O)N(C2=O)CCCO)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations