Geometry & MOs

Info

ID:	396898
PubChem CID:	135029404
Reduced:	NO2C24H27 (1)
Stoich.:	AB2C24D27 (1)
Weight, g/mol:	334.204513
ΔH_f, kcal/mol:	7.48
Dipole, Da:	3.56
IP(EA), eV:	-8.02(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]piperazine

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC(=C(C=C1)OC)OC)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations