Geometry & MOs

Info

ID:	128
PubChem CID:	2161
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	5.7
IP(EA), eV:	-9.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N

DOS

IR

Vibrations