Geometry & MOs

Info

ID:	43695
PubChem CID:	10321659
Reduced:	FNOH6C8 (3)
Stoich.:	ABCD6E8 (3)
Weight, g/mol:	453.141259
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	7.52
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-16,16-bis(1H-imidazol-2-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)OC(F)(F)F)C4=CC=CC(=C4)/C=C/C(=O)NO

DOS

IR

Vibrations