Geometry & MOs

Info

ID:	372678
PubChem CID:	131302018
Reduced:	BrNH10C11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	207.064391
ΔH_f, kcal/mol:	64.65
Dipole, Da:	4.11
IP(EA), eV:	-9.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-6-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1CC1(CC#N)C2=CC=CC=C2Br

DOS

IR

Vibrations