Geometry & MOs

Info

ID:	442580
PubChem CID:	135253136
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	52.78
Dipole, Da:	2.45
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4=CN=C(C=C4)C)C

DOS

IR

Vibrations