Geometry & MOs

Info

ID:	67632
PubChem CID:	46506855
Reduced:	NOH4C5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	8.32
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[8-ethoxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations