Geometry & MOs

Info

ID:	445809
PubChem CID:	135269635
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	766.476832
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	2.31
IP(EA), eV:	-11.21(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 1,5-dimethyl-3-[[1-(2-methylprop-2-enoyloxy)-3-(4-nonylphenoxy)propan-2-yl]oxycarbonylamino]-6-azabicyclo[3.2.1]octane-6-carboxylate

Drug info:

PubChemData

Smile

C(CCCCOC#N)CCCC#N

DOS

IR

Vibrations