Geometry & MOs

Info

ID:	9574
PubChem CID:	91079
Reduced:	ClON2C22H29 (1)
Stoich.:	ABC2D22E29 (1)
Weight, g/mol:	372.196841
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	2.81
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations