Geometry & MOs

Info

ID:	69036
PubChem CID:	46516410
Reduced:	N2O6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	6.5
IP(EA), eV:	-9.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

DOS

IR

Vibrations