Geometry & MOs

Info

ID:	445884
PubChem CID:	135269870
Reduced:	O2F3N5H18C23 (1)
Stoich.:	A2B3C5D18E23 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-92.14
Dipole, Da:	6.1
IP(EA), eV:	-9.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2=NN=C(O2)C3=CC=CC=C3C(F)(F)F)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations