Geometry & MOs

Info

ID:	71395
PubChem CID:	48414786
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	106.47
Dipole, Da:	4.42
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations