Geometry & MOs

Info

ID:	267434
PubChem CID:	103582208
Reduced:	BrClFN3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	3.14
Dipole, Da:	4.43
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-3-chloropyridin-2-yl)piperidin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN)F)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations