Geometry & MOs

Info

ID:	83183
PubChem CID:	49857253
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	4.78
IP(EA), eV:	-9.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1S,4R)-4,5-dimethyl-1-prop-2-enyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC=CC=C1Cl)O)C(=O)C

DOS

IR

Vibrations