Geometry & MOs

Info

ID:	230453
PubChem CID:	87570931
Reduced:	NO6C17H25 (1)
Stoich.:	AB6C17D25 (1)
Weight, g/mol:	384.178418
ΔH_f, kcal/mol:	-211.66
Dipole, Da:	4.55
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 2-(2,3-dihydroxypropoxy)-2-(4-formyl-2-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=NOCCCCC2COC(OC2)(C)C(=O)O)C

DOS

IR

Vibrations