Geometry & MOs

Info

ID:	212127
PubChem CID:	81059562
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-12.38
Dipole, Da:	2.32
IP(EA), eV:	-8.33(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2-methylphenyl)-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=CC2=C(C=C1N)SC(=N2)C

DOS

IR

Vibrations