Geometry & MOs

Info

ID:	76549
PubChem CID:	48425070
Reduced:	F3N3O3C20H26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-245.93
Dipole, Da:	4.22
IP(EA), eV:	-8.11(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methylpyrazol-1-yl)phenyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations