Geometry & MOs

Info

ID:	313166
PubChem CID:	126612355
Reduced:	O4C27H30 (1)
Stoich.:	A4B27C30 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	2.31
IP(EA), eV:	-8.77(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethoxyethyl)-3-(2-methylpyridin-4-yl)-N-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1C([C@@H](C[C@H](O1)OC2=CC=CC=C2C)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations