Geometry & MOs

Info

ID:	71609
PubChem CID:	48415107
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	359.200905
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	7.07
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations