Geometry & MOs

Info

ID:	49224
PubChem CID:	11532043
Reduced:	NSO5C23H27 (1)
Stoich.:	ABC5D23E27 (1)
Weight, g/mol:	429.197176
ΔH_f, kcal/mol:	-195.34
Dipole, Da:	8.27
IP(EA), eV:	-9.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](O/C(=C(\C(=O)OC(C)(C)C)/S(=O)(=O)C2=CC=CC=C2)/N1)C3=CC=C(C=C3)C

DOS

IR

Vibrations