Geometry & MOs

Info

ID:	445862
PubChem CID:	135269821
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	792.492482
ΔH_f, kcal/mol:	4.02
Dipole, Da:	5.61
IP(EA), eV:	-11.19(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 1,6-dimethyl-8-[[1-(2-methylprop-2-enoyloxy)-3-(4-nonylphenoxy)propan-2-yl]oxycarbonylamino]-2-azabicyclo[4.3.1]dec-2-ene-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)COC#N

DOS

IR

Vibrations