Geometry & MOs

Info

ID:	410057
PubChem CID:	135082846
Reduced:	NH9C14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	220.063663
ΔH_f, kcal/mol:	147.83
Dipole, Da:	0.36
IP(EA), eV:	-8.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,7S,8S)-13-oxatetracyclo[6.2.2.12,7.02,7]trideca-3,5,9,11-tetraene-9,10-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C3C(=CC4=CC=C(N43)C=C2)C=C1

DOS

IR

Vibrations