Geometry & MOs

Info

ID:	71258
PubChem CID:	48414529
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	411.09462
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	5.76
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-bromophenyl)-2-methylpyridin-3-yl]-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCN(CC2)CCC#C)C

DOS

IR

Vibrations