Geometry & MOs

Info

ID:	145710
PubChem CID:	53579217
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	336.196154
ΔH_f, kcal/mol:	74.35
Dipole, Da:	1.34
IP(EA), eV:	-8.98(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-nitrophenyl)-4-[(1-methylpiperidin-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CSC(=N2)C3=NC=NN3

DOS

IR

Vibrations