Geometry & MOs

Info

ID:	129695
PubChem CID:	51073574
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-134.91
Dipole, Da:	1.86
IP(EA), eV:	-8.52(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-prop-2-ynylpiperazine

Drug info:

PubChemData

Smile

COC(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations