Geometry & MOs

Info

ID:	71187
PubChem CID:	48414423
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	63.13
Dipole, Da:	3.1
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations