Geometry & MOs

Info

ID:	19933
PubChem CID:	575353
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	4.79
IP(EA), eV:	-9.92(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylpropanoyl)-2-bicyclo[2.2.1]hept-5-enyl] acetate

Drug info:

PubChemData

Smile

CC(C)C(=O)C1C2CC(C1OC(=O)C)C=C2

DOS

IR

Vibrations