Geometry & MOs

Info

ID:	332850
PubChem CID:	127251274
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	428.253589
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	1.45
IP(EA), eV:	-8.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-yl-1-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=C4

DOS

IR

Vibrations