Geometry & MOs

Info

ID:	282132
PubChem CID:	103916622
Reduced:	BrON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	351.01941
ΔH_f, kcal/mol:	9.64
Dipole, Da:	3.44
IP(EA), eV:	-9.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromopyridin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)C2=NC(=CC=C2)Br

DOS

IR

Vibrations