Geometry & MOs

Info

ID:	128294
PubChem CID:	51037839
Reduced:	ClF3N3H11C16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	403.161995
ΔH_f, kcal/mol:	-89.31
Dipole, Da:	3.17
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-methylpyridin-4-yl)-2-[3-[3-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC=N2)NCC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations