Geometry & MOs

Info

ID:	318215
PubChem CID:	126649655
Reduced:	F3N3O4C24H30 (1)
Stoich.:	A3B3C4D24E30 (1)
Weight, g/mol:	466.166391
ΔH_f, kcal/mol:	-310.23
Dipole, Da:	2.31
IP(EA), eV:	-9.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1C(F)(F)F)CC2=CC(=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations