Geometry & MOs

Info

ID:	342082
PubChem CID:	127264795
Reduced:	F2O2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	-70.89
Dipole, Da:	4.32
IP(EA), eV:	-9.11(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-fluorophenyl)prop-2-enyl]piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2[N+](=O)[O-])CC(F)F

DOS

IR

Vibrations