Geometry & MOs

Info

ID:	440241
PubChem CID:	135230172
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	659.14871
ΔH_f, kcal/mol:	24.28
Dipole, Da:	3.53
IP(EA), eV:	-9.78(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-benzyl-4-N-[(3-bromophenyl)methyl]-4-N-cyclopentyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)N=[N+]=[N-]

DOS

IR

Vibrations