Geometry & MOs

Info

ID:	122148
PubChem CID:	50796069
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	478.177168
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	2.64
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-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)NC3=CC=C(C=C3)C(=O)OCC)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations