Geometry & MOs

Info

ID:	396899
PubChem CID:	135029405
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	318.186277
ΔH_f, kcal/mol:	46.97
Dipole, Da:	1.73
IP(EA), eV:	-8.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)hept-2-ynyl]-4-ethylpiperazine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C#CC2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations