Geometry & MOs

Info

ID:	85146
PubChem CID:	49872080
Reduced:	ON7H29C32 (1)
Stoich.:	AB7C29D32 (1)
Weight, g/mol:	535.269573
ΔH_f, kcal/mol:	112.21
Dipole, Da:	4.4
IP(EA), eV:	-8.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-morpholin-4-ylethylamino)-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=NC=CC(=C12)C3=CC4=CC=CC=C4N=C3)C5=CC(=C(C=C5)C(=O)N)NCCC6=CC=CC=N6

DOS

IR

Vibrations