Geometry & MOs

Info

ID:	409203
PubChem CID:	135081982
Reduced:	NH4C6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	136.67
Dipole, Da:	2.5
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3Z,5Z,7Z,9R,10R,11S,13R,14Z,16Z)-12-oxatetracyclo[8.7.0.02,9.011,13]heptadeca-3,5,7,14,16-pentaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=C4N3N2C=C4

DOS

IR

Vibrations