Geometry & MOs

Info

ID:	224744
PubChem CID:	85349176
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	4.54
IP(EA), eV:	-9.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-methyl-13-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-12-one

Drug info:

PubChemData

Smile

C=C1CC(CC2C1O2)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations