Geometry & MOs

Info

ID:	76490
PubChem CID:	48424995
Reduced:	O2F3N5C16H20 (1)
Stoich.:	A2B3C5D16E20 (1)
Weight, g/mol:	409.255226
ΔH_f, kcal/mol:	-171.11
Dipole, Da:	2.94
IP(EA), eV:	-8.55(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-methyl-1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butan-2-yl]butanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN3C=CC=NC3=N2

DOS

IR

Vibrations