Geometry & MOs

Info

ID:	206126
PubChem CID:	80208440
Reduced:	BrN2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	385.94524
ΔH_f, kcal/mol:	82.48
Dipole, Da:	1.18
IP(EA), eV:	-9.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-methoxyphenyl)-1-(5-bromopyridin-3-yl)ethanamine

Drug info:

PubChemData

Smile

C#CC(C1=CC(=CN=C1)Br)N

DOS

IR

Vibrations