Geometry & MOs

Info

ID:	201780
PubChem CID:	79581969
Reduced:	NSO2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	294.069054
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	4.95
IP(EA), eV:	-9.09(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[(3-chlorophenyl)methyl-methylamino]methyl]aniline

Drug info:

PubChemData

Smile

CNC1CCCC1CCS(=O)(=O)C2CCCC2

DOS

IR

Vibrations