Geometry & MOs

Info

ID:	45512
PubChem CID:	10514350
Reduced:	N3O6C8H9 (1)
Stoich.:	A3B6C8D9 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-118.04
Dipole, Da:	5.44
IP(EA), eV:	-10.78(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,13S)-14-oxa-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-triene-11,15-dione

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1[N+](=O)[O-])C(=O)OC)OC

DOS

IR

Vibrations