Geometry & MOs

Info

ID:	277047
PubChem CID:	103826440
Reduced:	BrClNOF3H12C13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	384.96512
ΔH_f, kcal/mol:	-197.57
Dipole, Da:	4.86
IP(EA), eV:	-10.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC(=C2)Br)Cl)C(F)(F)F

DOS

IR

Vibrations