Geometry & MOs

Info

ID:	206129
PubChem CID:	80208443
Reduced:	BrCl2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	298.10446
ΔH_f, kcal/mol:	46.55
Dipole, Da:	3.16
IP(EA), eV:	-9.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-3-ethylheptan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C(C2=CC(=CN=C2)Br)N

DOS

IR

Vibrations