Geometry & MOs

Info

ID:	309567
PubChem CID:	126548916
Reduced:	ClSN2O5C31H41 (1)
Stoich.:	ABC2D5E31F41 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	-187.44
Dipole, Da:	10.72
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2-ethenyl-N',5-dimethylhexa-2,4-diene-1,6-diamine

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]2CC[C@H]2CN3CCCCC4=C(COC5=C3C=C(C=C5)C(=O)NS(=O)(=O)[C@H]1C)C=CC(=C4)Cl)O

DOS

IR

Vibrations