Geometry & MOs

Info

ID:	249205
PubChem CID:	103087697
Reduced:	ClSN2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	272.111398
ΔH_f, kcal/mol:	6.39
Dipole, Da:	5.41
IP(EA), eV:	-8.43(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-N,1-N-dimethyl-2-N-(4-methylsulfanylbutyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=C1Cl)NCCCCSC

DOS

IR

Vibrations