Geometry & MOs

Info

ID:	436943
PubChem CID:	135213197
Reduced:	ION3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	410.304562
ΔH_f, kcal/mol:	184.25
Dipole, Da:	4.95
IP(EA), eV:	-8.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclononyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=C1CCI)/C/2=C/C=C\C=C/C=C2)NC(=O)C3=CC=CC=CC=CC=C3

DOS

IR

Vibrations