Geometry & MOs

Info

ID:	213474
PubChem CID:	81063848
Reduced:	ClNSO5C13H20 (1)
Stoich.:	ABCD5E13F20 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-198.76
Dipole, Da:	5.44
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=CC(=C1OC)CO)Cl

DOS

IR

Vibrations