Geometry & MOs

Info

ID:	443171
PubChem CID:	135257955
Reduced:	ClOF3N6C23H26 (1)
Stoich.:	ABC3D6E23F26 (1)
Weight, g/mol:	463.102287
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	7.39
IP(EA), eV:	-8.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCN2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations