Geometry & MOs

Info

ID:	288317
PubChem CID:	104314938
Reduced:	Br2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	411.99727
ΔH_f, kcal/mol:	51.03
Dipole, Da:	4.38
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(4-propylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C=N1)Br)Br)C2=NC=CN2CC

DOS

IR

Vibrations