Geometry & MOs

Info

ID:	28315
PubChem CID:	826985
Reduced:	ClON5C11H12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	5.61
Dipole, Da:	4.6
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[2-(1,3-benzodioxol-5-ylsulfanyl)phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N)C2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations