Geometry & MOs

Info

ID:	306445
PubChem CID:	125011754
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	14.65
Dipole, Da:	5.26
IP(EA), eV:	-9.01(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-1-[(3S)-4-methyl-3-phenylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(C[C@H]1C2=CC=CC=C2)C(=O)CCN3C=CN=C3

DOS

IR

Vibrations