Geometry & MOs

Info

ID:	308414
PubChem CID:	125327222
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	404.206405
ΔH_f, kcal/mol:	26.78
Dipole, Da:	7.43
IP(EA), eV:	-9.84(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-(2-fluorophenyl)-(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Drug info:

PubChemData

Smile

COCCN1[C@H](C2=C(C1=O)N=N[C@H]2C3=CC=CO3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations