Geometry & MOs

Info

ID:	306444
PubChem CID:	125011753
Reduced:	FO3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	5.22
IP(EA), eV:	-9.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CN(N=C1)[C@H]2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations