Geometry & MOs

Info

ID:	442592
PubChem CID:	135253188
Reduced:	ClOF3N6H14C19 (1)
Stoich.:	ABC3D6E14F19 (1)
Weight, g/mol:	410.125802
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	9.29
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-4H-pyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)CC4=NNN=C4

DOS

IR

Vibrations