Geometry & MOs

Info

ID:	128295
PubChem CID:	51037967
Reduced:	OF3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	404.14601
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	4.33
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(2-methylpyridin-4-yl)-5-[3-(trifluoromethyl)anilino]pyrazol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCN(C1=CC(=NC=C1)C)C(=O)CC2=CC(=NN2)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations