Geometry & MOs

Info

ID:	197955
PubChem CID:	79021195
Reduced:	ClN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	256.03236
ΔH_f, kcal/mol:	38.95
Dipole, Da:	2.06
IP(EA), eV:	-7.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-piperazin-1-ylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCC2=CC=CC=C2Cl)N

DOS

IR

Vibrations