Geometry & MOs

Info

ID:	155248
PubChem CID:	56323506
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	359.180919
ΔH_f, kcal/mol:	2.32
Dipole, Da:	0.83
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations