Geometry & MOs

Info

ID:	71666
PubChem CID:	48415175
Reduced:	ClOSN2C17H21 (1)
Stoich.:	ABCD2E17F21 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	17.52
Dipole, Da:	4.14
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations