Geometry & MOs

Info

ID:	408476
PubChem CID:	135081242
Reduced:	NO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-196.02
Dipole, Da:	10.64
IP(EA), eV:	-9.38(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC1=CC(=O)C(=O)C(=C1O)/C=C/2\CCCC3C2CCCC3

DOS

IR

Vibrations