Geometry & MOs

Info

ID:	245472
PubChem CID:	99445123
Reduced:	FNOC11H11 (2)
Stoich.:	ABCD11E11 (2)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	3.3
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-N-ethyl-1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC(=C1)C)C)C(=O)CCC2=NC=C(O2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations