Geometry & MOs

Info

ID:	122151
PubChem CID:	50796158
Reduced:	FO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	480.172832
ΔH_f, kcal/mol:	-64.63
Dipole, Da:	3.71
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-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)C)F)C)C(=NN2C4=CC=CC(=C4)C)C

DOS

IR

Vibrations