Geometry & MOs

Info

ID:	216145
PubChem CID:	85085794
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	234.064057
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	2.34
IP(EA), eV:	-8.8(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2NC3CCCCC3O2

DOS

IR

Vibrations