Geometry & MOs

Info

ID:	130084
PubChem CID:	51074885
Reduced:	FOSN4C15H17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-acetylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CS2)C(C3=CC=C(C=C3)F)C(=O)N

DOS

IR

Vibrations