Geometry & MOs

Info

ID:	10336
PubChem CID:	100605
Reduced:	NO3H9C16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	263.058243
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	3.39
IP(EA), eV:	-8.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,13,15(19),16-heptaen-11-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C4=CC=CC5=C4N(C3=O)C=C5

DOS

IR

Vibrations