Geometry & MOs

Info

ID:	427843
PubChem CID:	135164233
Reduced:	N2O6C35H50 (1)
Stoich.:	A2B6C35D50 (1)
Weight, g/mol:	514.329439
ΔH_f, kcal/mol:	-206.74
Dipole, Da:	1.78
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl]-5-(4-pentylphenyl)cyclohexyl]propyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCC1=C(C=C(C=C1)OCCOC(=O)C(=C)CN(C)C)C2=CC(=CC=C2)OCCOC(=O)C(=C)CN(C)C

DOS

IR

Vibrations