Geometry & MOs

Info

ID:	295018
PubChem CID:	117511879
Reduced:	NF3O4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-300.37
Dipole, Da:	10.21
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C(=C2)C3CC(CN3)C(=O)O)C(F)(F)F)OC1

DOS

IR

Vibrations