Geometry & MOs

Info

ID:	144688
PubChem CID:	53399669
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	269.068808
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	1.93
IP(EA), eV:	-7.83(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-3-pyridin-2-yl-3,4-dihydroisochromene-4-carboxylic acid

Drug info:

PubChemData

Smile

C.CC1=C(C=CC(=C1)OC)NC

DOS

IR

Vibrations