Geometry & MOs

Info

ID:	368475
PubChem CID:	127329045
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	367.166269
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	6.48
IP(EA), eV:	-9.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(oxan-4-yloxy)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)N3CCC(C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations