Geometry & MOs

Info

ID:	313108
PubChem CID:	126612017
Reduced:	NF3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	463.183124
ΔH_f, kcal/mol:	-139.65
Dipole, Da:	3.36
IP(EA), eV:	-9.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyethoxy)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC=N/C(=C/C(=C)C(F)(F)F)/CC

DOS

IR

Vibrations