Geometry & MOs

Info

ID:	150368
PubChem CID:	53790057
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	63.59
Dipole, Da:	3.26
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-nitro-6-prop-2-enoxyphenyl)-2-oxopropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H](CC2=CC=CC=N2)C3=CC=C(C=C3)C4=NNN=N4)OC5CCCC5

DOS

IR

Vibrations