Geometry & MOs

Info

ID:	202251
PubChem CID:	79646307
Reduced:	ClNOSC15H22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	3.36
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2,5-dimethylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)SC2=CC(=CC=C2)Cl)CO

DOS

IR

Vibrations