Geometry & MOs

Info

ID:	71585
PubChem CID:	48415076
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-7.83
Dipole, Da:	3.26
IP(EA), eV:	-8.82(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2-methylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCC2

DOS

IR

Vibrations