Geometry & MOs

Info

ID:	424233
PubChem CID:	135121859
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	3.44
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-3-ethyl-5-(3-methylbuta-1,3-dien-2-yloxy)-1-adamantyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]12CC3(CC(C1)(CC(C2)(C3)OC(=O)C=C)OC(=C)C=C)C

DOS

IR

Vibrations