Geometry & MOs

Info

ID:	48289
PubChem CID:	10538653
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	4.13
IP(EA), eV:	-9.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,4R,5R)-4-ethenyl-4-methyl-2-oxo-5-prop-1-en-2-ylcyclohexyl]acetate

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC=C([C@]2(C=O)O)C=O)(C)C

DOS

IR

Vibrations