Geometry & MOs

Info

ID:	139419
PubChem CID:	52528142
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	364.182516
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	6.84
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-N-naphthalen-1-ylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C(/C2=CN=C(C=C2)N3CCCCC3)\N

DOS

IR

Vibrations