Geometry & MOs

Info

ID:	265345
PubChem CID:	103517769
Reduced:	BrN3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	350.05424
ΔH_f, kcal/mol:	14.76
Dipole, Da:	4.93
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CN(C1CCCCCC1)C2=C(C=NC=C2N)Br

DOS

IR

Vibrations