Geometry & MOs

Info

ID:	18800
PubChem CID:	548430
Reduced:	NO3H11C20 (1)
Stoich.:	AB3C11D20 (1)
Weight, g/mol:	313.073893
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	2.76
IP(EA), eV:	-8.94(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4(9),5,7,14,16,18,20-nonaene-3,10-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C3C(=O)C5=C(C4=O)C=CC=C5N

DOS

IR

Vibrations