Geometry & MOs

Info

ID:	6508
PubChem CID:	68784
Reduced:	ClO2N5H6C13 (1)
Stoich.:	AB2C5D6E13 (1)
Weight, g/mol:	299.021002
ΔH_f, kcal/mol:	68.53
Dipole, Da:	1.12
IP(EA), eV:	-9.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-7-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)OC3=C(C2=O)C=C(C=C3Cl)C4=NNN=N4

DOS

IR

Vibrations