Geometry & MOs

Info

ID:	141278
PubChem CID:	52852071
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	464.222369
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	2.91
IP(EA), eV:	-8.13(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylfuran-3-yl)-N-(3-fluoro-4-methoxyphenyl)-N,1-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3CCOCC3

DOS

IR

Vibrations