Geometry & MOs

Info

ID:	220875
PubChem CID:	85240245
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	-138.46
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dihydroxy-2-phenylmethoxyhexyl) acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)C1(C(=[N+]=[N-])C(=O)OC(C)(C)C)O)C

DOS

IR

Vibrations