Geometry & MOs

Info

ID:	429746
PubChem CID:	135169797
Reduced:	ClF3N3H11C15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	515.225658
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	4.19
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethylpyridin-3-yl)-N-[5-[(methylideneamino)methyl]-6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C=C/C(=C/N)/C(=NC1=CC(=NC2=CC=CC=C21)Cl)C(F)(F)F

DOS

IR

Vibrations