Geometry & MOs

Info

ID:	343352
PubChem CID:	127266525
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	26.11
Dipole, Da:	3.76
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=C2)C=CC3=NC=NC=C3

DOS

IR

Vibrations