Geometry & MOs

Info

ID:	56621
PubChem CID:	17487228
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	7.34
IP(EA), eV:	-8.8(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)/C=C\3/C(=O)OC(=N3)C4=CC=C(C=C4)OC(C)C)C(=O)C

DOS

IR

Vibrations