Geometry & MOs

Info

ID:	288247
PubChem CID:	104314374
Reduced:	OBr2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	463.85575
ΔH_f, kcal/mol:	34.28
Dipole, Da:	1.79
IP(EA), eV:	-9.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-methoxyphenyl)-1-(3,5-dibromopyridin-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=COC(=C1)C(C2=C(C=C(C=N2)Br)Br)N

DOS

IR

Vibrations