Geometry & MOs

Info

ID:	442611
PubChem CID:	135253309
Reduced:	BrN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	286.098524
ΔH_f, kcal/mol:	58.23
Dipole, Da:	2.91
IP(EA), eV:	-8.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-ethyl-3-methyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC(=CNC1=CC(=NN1C2=CC=C(C=C2)Br)C)CC

DOS

IR

Vibrations