Geometry & MOs

Info

ID:	381744
PubChem CID:	134972562
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-200.79
Dipole, Da:	3.28
IP(EA), eV:	-10.18(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3,3-dimethyl-4-[(E)-4-methylhex-3-en-3-yl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]([C@H](C)[C@H](C(=C)C)O)O

DOS

IR

Vibrations