Geometry & MOs

Info

ID:	122146
PubChem CID:	50796067
Reduced:	FON2C13H13 (2)
Stoich.:	ABC2D13E13 (2)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	4.06
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations