Geometry & MOs

Info

ID:	260030
PubChem CID:	103179234
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	6.34
IP(EA), eV:	-8.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-methoxyphenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine

Drug info:

PubChemData

Smile

COCCCOCCNC1=CC2=C(C=C1)C=C(C=C2)Br

DOS

IR

Vibrations