Geometry & MOs

Info

ID:	165487
PubChem CID:	74556902
Reduced:	N5C28H41 (1)
Stoich.:	A5B28C41 (1)
Weight, g/mol:	232.983276
ΔH_f, kcal/mol:	111.13
Dipole, Da:	6.3
IP(EA), eV:	-6.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3-chloroprop-2-enylsulfanyl)aniline

Drug info:

PubChemData

Smile

CCCCC1=NC(=C[NH2+]1)CN(CC2CC[NH+](CC2)CC3=CC=CC=C3C)CC4=CN=CC=C4

DOS

IR

Vibrations