Geometry & MOs

Info

ID:	71703
PubChem CID:	48415237
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	33.05
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-phenoxyethoxy)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations