Geometry & MOs

Info

ID:	80373
PubChem CID:	49834195
Reduced:	F2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	4.37
IP(EA), eV:	-9.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyano-4-[(2,3,6-trifluorophenoxy)methyl]pyrazol-1-yl]-2-(1-methylcyclopropyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C(CCNC)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations