Geometry & MOs

Info

ID:	332875
PubChem CID:	127251299
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	1.4
IP(EA), eV:	-8.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-methylphenyl)-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(C)NC1=NNC2=C1C=CC(=N2)C3CCN(C3)CC4=CC(=C(C=C4)OC(C)C)COC

DOS

IR

Vibrations