Geometry & MOs

Info

ID:	227507
PubChem CID:	87561884
Reduced:	F2O3N4H22C26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	1.92
IP(EA), eV:	-8.44(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(1,3-dioxol-4-yl)-2-phenylethyl]piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H](CC1=C(C=CC=C1F)F)C2=C/C(=C/3\NNC(=O)N3C4=CC5=C(C=C4)N(C=C5)C)/C(=O)C=C2O

DOS

IR

Vibrations