Geometry & MOs

Info

ID:	224648
PubChem CID:	85345606
Reduced:	O2C9H14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-156.93
Dipole, Da:	2.32
IP(EA), eV:	-9.78(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-methyl-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]heptan-2-one

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(CC3C(=O)CCCC3(C(=O)C2)C)O)O)C

DOS

IR

Vibrations