Geometry & MOs

Info

ID:	288334
PubChem CID:	104315100
Reduced:	BrNC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	406.00784
ΔH_f, kcal/mol:	16.9
Dipole, Da:	1.64
IP(EA), eV:	-8.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dibromopyridin-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C)C1=C(C=C(C=N1)Br)Br

DOS

IR

Vibrations