Geometry & MOs

Info

ID:	25064
PubChem CID:	618291
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	2.58
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-one

Drug info:

PubChemData

Smile

C1CCC23C(C1)N(CC4=CC5=C(C=C42)OCO5)CC3=O

DOS

IR

Vibrations