Geometry & MOs

Info

ID:	37149
PubChem CID:	8017527
Reduced:	ClNO5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	331.02475
ΔH_f, kcal/mol:	-158.42
Dipole, Da:	3.01
IP(EA), eV:	-9.78(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2-oxochromen-4-yl)methyl 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)COC(=O)C2=CN=C(C=C2)Cl)C(=O)OC

DOS

IR

Vibrations