Geometry & MOs

Info

ID:	291903
PubChem CID:	113635244
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	251.14339
ΔH_f, kcal/mol:	58.99
Dipole, Da:	2.49
IP(EA), eV:	-8.88(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC2=NOC(=N2)C3=CC=CS3

DOS

IR

Vibrations