Geometry & MOs

Info

ID:	156883
PubChem CID:	56394828
Reduced:	OS2N5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	404.20124
ΔH_f, kcal/mol:	74.59
Dipole, Da:	3.21
IP(EA), eV:	-8.7(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3N4CCN(CC4)CCC5=CC=NC=C5

DOS

IR

Vibrations