Geometry & MOs

Info

ID:	332868
PubChem CID:	127251292
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	0.52
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[3-[3-[(6-methylpyridin-2-yl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=N5)O

DOS

IR

Vibrations