Geometry & MOs

Info

ID:	445838
PubChem CID:	135269733
Reduced:	N3O9C45H67 (1)
Stoich.:	A3B9C45D67 (1)
Weight, g/mol:	282.219495
ΔH_f, kcal/mol:	-366.33
Dipole, Da:	5.74
IP(EA), eV:	-8.65(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nonylcyclohexa-1,5-dien-1-yl)oxyethane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=C(C=C1)OC(COC(=O)C(C)C)ON=NC2CC3(CC(C2)(N(C3)C(=O)OC(COC4=CC=C(C=C4)C)COC(=O)C(C)C)C)C

DOS

IR

Vibrations