Geometry & MOs

Info

ID:	251196
PubChem CID:	103102108
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	222.140199
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	2.1
IP(EA), eV:	-8.91(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-(2-methyl-2-methylsulfonylpropyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=CC2=C(COC2)C=C1

DOS

IR

Vibrations