Geometry & MOs

Info

ID:	280096
PubChem CID:	103846823
Reduced:	FNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	-145.1
Dipole, Da:	6.72
IP(EA), eV:	-8.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-chlorophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=C(C=C1)OC)F)S(=O)C

DOS

IR

Vibrations