Geometry & MOs

Info

ID:	396342
PubChem CID:	135028105
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-165.22
Dipole, Da:	2.48
IP(EA), eV:	-9.91(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S,4R)-4-ethenyl-3-methylidene-2-(2-phenylethyl)cyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@@H](C(=C)[C@@H]1C2CCCCC2)C=C)C(=O)OC

DOS

IR

Vibrations