Geometry & MOs

Info

ID:	386043
PubChem CID:	134980603
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-176.21
Dipole, Da:	3.72
IP(EA), eV:	-8.96(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(2S,3R)-3-acetyl-2-methyl-6-methylidenecyclohexylidene]acetate

Drug info:

PubChemData

Smile

COC(=O)C1(CCC(=C2CCCCC2)C(=C3CCCCC3)C=C1)C(=O)OC

DOS

IR

Vibrations