Geometry & MOs

Info

ID:	127600
PubChem CID:	51008231
Reduced:	N2O6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-212.13
Dipole, Da:	4.08
IP(EA), eV:	-9.21(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-1-pent-4-enyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

Drug info:

PubChemData

Smile

CCCCC#CC1C=C([C@@H]2CC[C@@H]1N(N2C(=O)OCC)C(=O)OCC)OC(=O)C

DOS

IR

Vibrations