Geometry & MOs

Info

ID:	442595
PubChem CID:	135253191
Reduced:	ClOF3N6H16C20 (1)
Stoich.:	ABC3D6E16F20 (1)
Weight, g/mol:	434.086971
ΔH_f, kcal/mol:	-74.81
Dipole, Da:	8.15
IP(EA), eV:	-9.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-1-(4H-pyrazol-3-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C1)CN2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations