Geometry & MOs

Info

ID:	71513
PubChem CID:	48414980
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	66.44
Dipole, Da:	3.77
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-acetamido-5-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations