Geometry & MOs

Info

ID:	122139
PubChem CID:	50796060
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	1.98
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)N3CCOCC3)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations