Geometry & MOs

Info

ID:	206122
PubChem CID:	80208065
Reduced:	OBr2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	270.07316
ΔH_f, kcal/mol:	34.69
Dipole, Da:	1.97
IP(EA), eV:	-9.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=COC(=C1Br)C(C2=CC(=CN=C2)Br)N

DOS

IR

Vibrations