Geometry & MOs

Info

ID:	11945
PubChem CID:	124180
Reduced:	NO4H7C15 (1)
Stoich.:	AB4C7D15 (1)
Weight, g/mol:	265.037508
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	5.46
IP(EA), eV:	-9.67(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-nitro-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)OC4=C3C(=C(C=C4)[N+](=O)[O-])C=C2

DOS

IR

Vibrations