Geometry & MOs

Info

ID:	71583
PubChem CID:	48415074
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	17.86
Dipole, Da:	2.81
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-cyclobutylmethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations