Geometry & MOs

Info

ID:	354068
PubChem CID:	127285867
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	334.164105
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	3.26
IP(EA), eV:	-9.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(C2=CC=CC=C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations