Geometry & MOs

Info

ID:	120883
PubChem CID:	50748420
Reduced:	FON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	439.06776
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	5.82
IP(EA), eV:	-8.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCCC2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations