Geometry & MOs

Info

ID:	171583
PubChem CID:	75399039
Reduced:	BrON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	370.066653
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	2.66
IP(EA), eV:	-9.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C=CCNC(=O)CN1CCCCC2=C1C=CC(=C2)Br

DOS

IR

Vibrations