Geometry & MOs

Info

ID:	350577
PubChem CID:	127278612
Reduced:	ON3C5H8 (2)
Stoich.:	AB3C5D8 (2)
Weight, g/mol:	391.175673
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	4.41
IP(EA), eV:	-9.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)C(=O)NC2=NNN=N2

DOS

IR

Vibrations