Geometry & MOs

Info

ID:	65451
PubChem CID:	38671679
Reduced:	BrN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	3.94
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC3=CC=CC=N3)Br)O

DOS

IR

Vibrations