Geometry & MOs

Info

ID:	332863
PubChem CID:	127251287
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	446.27941
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	6.4
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NC5CCOCC5

DOS

IR

Vibrations