Geometry & MOs

Info

ID:	76689
PubChem CID:	48425248
Reduced:	F3N3O4C19H26 (1)
Stoich.:	A3B3C4D19E26 (1)
Weight, g/mol:	407.178039
ΔH_f, kcal/mol:	-301.29
Dipole, Da:	6.04
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2CC(=O)N(C2)CC3=CC=CO3

DOS

IR

Vibrations