Geometry & MOs

Info

ID:	369201
PubChem CID:	127331508
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-167.44
Dipole, Da:	4.19
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations