Geometry & MOs

Info

ID:	52384
PubChem CID:	12015230
Reduced:	N3O4H17C22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	459.189317
ΔH_f, kcal/mol:	14.59
Dipole, Da:	9.41
IP(EA), eV:	-8.4(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations