Geometry & MOs

Info

ID:	342673
PubChem CID:	127265833
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	15.61
Dipole, Da:	4.08
IP(EA), eV:	-9.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(3-phenylprop-2-enyl)piperazine

Drug info:

PubChemData

Smile

CCOCC(CN1C(=NN=N1)C=CC2=CC=CC=C2)O

DOS

IR

Vibrations