Geometry & MOs

Info

ID:	145041
PubChem CID:	53451817
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	395.117787
ΔH_f, kcal/mol:	54.66
Dipole, Da:	6.86
IP(EA), eV:	-8.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-amino-13-(2,5-dimethoxyphenyl)-6-methyl-11-oxo-8-thia-10-aza-3-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile

Drug info:

PubChemData

Smile

C1C(C=C2C(=CN=C(NN2)N)C1=O)C3=CC=CC=C3

DOS

IR

Vibrations