Geometry & MOs

Info

ID:	71402
PubChem CID:	48414797
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	99.8
Dipole, Da:	2.79
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-cyclopropylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations