Geometry & MOs

Info

ID:	24655
PubChem CID:	611888
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	6.07
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraen-4-one

Drug info:

PubChemData

Smile

CCC1=C(N2CCCC3=C2C(=CC=C3)C1=O)O

DOS

IR

Vibrations