Geometry & MOs

Info

ID:	362036
PubChem CID:	127305573
Reduced:	FO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	397.284161
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	6.28
IP(EA), eV:	-8.64(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-tert-butyl-N,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations