Geometry & MOs

Info

ID:	412366
PubChem CID:	135085256
Reduced:	FeS2N4F6O6C30H32 (1)
Stoich.:	AB2C4D6E6F30G32 (1)
Weight, g/mol:	424.262697
ΔH_f, kcal/mol:	-480.71
Dipole, Da:	5.94
IP(EA), eV:	-8.08(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,2-N-dimethyl-1-N,2-N-bis(2-methylquinolin-8-yl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2N(C)C3CCCCC3N(C)C4=CC=CC5=C4N=C(C=C5)C)C=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2]

DOS

IR

Vibrations