Geometry & MOs

Info

ID:	52526
PubChem CID:	12015422
Reduced:	NSiO2C19H31 (1)
Stoich.:	ABC2D19E31 (1)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	-150.19
Dipole, Da:	4.05
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C1)C(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations