Geometry & MOs

Info

ID:	26516
PubChem CID:	650729
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	90.85
Dipole, Da:	9.94
IP(EA), eV:	-8.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N(C)C

DOS

IR

Vibrations