Geometry & MOs

Info

ID:	140113
PubChem CID:	52649453
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	455.06447
ΔH_f, kcal/mol:	24.1
Dipole, Da:	5.51
IP(EA), eV:	-8.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-bromophenoxy)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)C3=CC4=NC(=C(N=C4C=C3)C)C

DOS

IR

Vibrations