Geometry & MOs

Info

ID:	392319
PubChem CID:	135014471
Reduced:	O7C18H26 (1)
Stoich.:	A7B18C26 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-304.96
Dipole, Da:	3.93
IP(EA), eV:	-10.28(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1S,2R)-2-ethenyl-4,4-dimethylcyclopentyl]-2-methylidenebutanoate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC(=O)CCC=C)COC(=O)CCC=C)C

DOS

IR

Vibrations