Geometry & MOs

Info

ID:	76470
PubChem CID:	48424964
Reduced:	N2O2F3C22H27 (1)
Stoich.:	A2B2C3D22E27 (1)
Weight, g/mol:	419.214424
ΔH_f, kcal/mol:	-218.66
Dipole, Da:	2.6
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations