Geometry & MOs

Info

ID:	14049
PubChem CID:	402513
Reduced:	ClNO2H6C8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	366.017412
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	10.0
IP(EA), eV:	-9.86(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-3-yl) 6-(aminomethyl)-2-oxochromene-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CN)C=C(C(=O)O2)C(=O)OC3=CC(=CN=C3)Cl.Cl

DOS

IR

Vibrations