Geometry & MOs

Info

ID:	19896
PubChem CID:	574777
Reduced:	ClF2O2N3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	333.105561
ΔH_f, kcal/mol:	-176.03
Dipole, Da:	5.97
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[chloro(difluoro)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)Cl

DOS

IR

Vibrations