Geometry & MOs

Info

ID:	71440
PubChem CID:	48414864
Reduced:	FN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	1.8
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC(=CC=C2)F

DOS

IR

Vibrations