Geometry & MOs

Info

ID:	139096
PubChem CID:	52471495
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	410.291986
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	3.89
IP(EA), eV:	-8.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(3-tert-butyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]propyl-diethylazanium

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations