Geometry & MOs

Info

ID:	313159
PubChem CID:	126612275
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	466.172894
ΔH_f, kcal/mol:	-88.06
Dipole, Da:	3.81
IP(EA), eV:	-10.2(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1(CCCCC1)C)C(=O)N

DOS

IR

Vibrations