Geometry & MOs

Info

ID:	243663
PubChem CID:	99233755
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	491.28964
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	3.19
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCC[C@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations