Geometry & MOs

Info

ID:	440414
PubChem CID:	135230391
Reduced:	SN7H11C14 (1)
Stoich.:	AB7C11D14 (1)
Weight, g/mol:	327.151767
ΔH_f, kcal/mol:	181.53
Dipole, Da:	8.06
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-[(6-aminopyridin-2-yl)methylsulfanylmethyl]-1-N-methyl-1-N'-[2-(methylideneamino)phenyl]ethene-1,1-diamine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SC4=CC=CC=N4

DOS

IR

Vibrations