Geometry & MOs

Info

ID:	288243
PubChem CID:	104314107
Reduced:	BrN2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	415.9722
ΔH_f, kcal/mol:	3.53
Dipole, Da:	1.24
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-bromo-4-fluorophenyl)-1-(3-bromopyridin-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCC(C1=C(C=CC=N1)Br)NCCC

DOS

IR

Vibrations