Geometry & MOs

Info

ID:	122152
PubChem CID:	50796159
Reduced:	ClFO2N4C26H26 (1)
Stoich.:	ABC2D4E26F26 (1)
Weight, g/mol:	462.206719
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	4.72
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[3,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations