Geometry & MOs

Info

ID:	289812
PubChem CID:	104374380
Reduced:	O3N5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	4.29
IP(EA), eV:	-9.57(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxypropylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)OC2=C3C=NN(C3=NC=C2C(=O)O)C

DOS

IR

Vibrations