Geometry & MOs

Info

ID:	443172
PubChem CID:	135257958
Reduced:	ClO2F3N5H17C21 (1)
Stoich.:	AB2C3D5E17F21 (1)
Weight, g/mol:	451.138672
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	6.39
IP(EA), eV:	-9.53(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(1-ethylpiperidin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations