Geometry & MOs

Info

ID:	426476
PubChem CID:	135144371
Reduced:	F3N5C23H28 (1)
Stoich.:	A3B5C23D28 (1)
Weight, g/mol:	325.15904
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	7.4
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CN(C)CC(C1=CC(=C(C=C1)C#N)CN2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F)N

DOS

IR

Vibrations