Geometry & MOs

Info

ID:	165235
PubChem CID:	74519788
Reduced:	ClNO4H10C16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	429.157623
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	2.94
IP(EA), eV:	-9.47(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-[(4-oxochromen-3-ylidene)methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1C(=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=CC=C3O1

DOS

IR

Vibrations