Geometry & MOs

Info

ID:	304420
PubChem CID:	124589793
Reduced:	OF2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	5.49
IP(EA), eV:	-9.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S)-3,5-dimethylpiperazin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](N1)C)C(=O)CCCC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations