Geometry & MOs

Info

ID:	43229
PubChem CID:	10319979
Reduced:	O3C28H36 (1)
Stoich.:	A3B28C36 (1)
Weight, g/mol:	421.04389
ΔH_f, kcal/mol:	-65.86
Dipole, Da:	2.77
IP(EA), eV:	-8.47(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dibromo-4-methoxyphenyl)ethyl]octan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC2[C@@](CC[C@]3([C@]2(CC=C4[C@]3(C=CC5=C(C(=C(C=C45)O)O)C)C)C)C)(CC1=O)C

DOS

IR

Vibrations