Geometry & MOs

Info

ID:	442594
PubChem CID:	135253190
Reduced:	OCl2N6H16C19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	448.102621
ΔH_f, kcal/mol:	79.3
Dipole, Da:	7.56
IP(EA), eV:	-9.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-1-[(5-methyl-4H-pyrazol-3-yl)methyl]-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)Cl

DOS

IR

Vibrations