Geometry & MOs

Info

ID:	122239
PubChem CID:	50799106
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	2.21
Dipole, Da:	5.77
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=NC3=C(C(=C2)C)C(=NN3C4=CC=CC=C4)C)Cl

DOS

IR

Vibrations