Geometry & MOs

Info

ID:	52385
PubChem CID:	12015231
Reduced:	NO8C24H29 (1)
Stoich.:	AB8C24D29 (1)
Weight, g/mol:	479.134695
ΔH_f, kcal/mol:	-322.93
Dipole, Da:	3.34
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triethyl (E)-4-amino-2-(6-chloro-4-oxochromen-3-yl)pent-3-ene-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=COC2=C(C1=O)C=C(C=C2)C)/C(=C(/C)\N)/C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations