Geometry & MOs

Info

ID:	71528
PubChem CID:	48415003
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	4.75
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations