Geometry & MOs

Info

ID:	2759
PubChem CID:	8464
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-98.96
Dipole, Da:	5.62
IP(EA), eV:	-9.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-methyl-4-oxo-3-penta-2,4-dienylcyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=CC=C

DOS

IR

Vibrations