Geometry & MOs

Info

ID:	52391
PubChem CID:	12015242
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	401.103
ΔH_f, kcal/mol:	-183.82
Dipole, Da:	0.98
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-chloro-5-(2,4-dioxopentan-3-yl)-2-methyl-5H-chromeno[4,3-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2C(=C1)C(OC3=C2C=C(C=C3)C)C(C(=O)C)C(=O)C)C

DOS

IR

Vibrations