Geometry & MOs

Info

ID:	122140
PubChem CID:	50796061
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-48.51
Dipole, Da:	6.07
IP(EA), eV:	-8.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3=CC=C(C=C3)NC(=O)C)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations