Geometry & MOs

Info

ID:	71359
PubChem CID:	48414681
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	11.92
Dipole, Da:	2.81
IP(EA), eV:	-8.85(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,5-dimethylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2CCC=C2

DOS

IR

Vibrations