Geometry & MOs

Info

ID:	373815
PubChem CID:	131320328
Reduced:	ClFO3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	281.05276
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	6.28
IP(EA), eV:	-10.34(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(5-bromopyridin-3-yl)prop-2-enyl]piperazine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)/C=C\C(=O)O)F)Cl

DOS

IR

Vibrations