Geometry & MOs

Info

ID:	71436
PubChem CID:	48414857
Reduced:	OF2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	3.5
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations