Geometry & MOs

Info

ID:	387089
PubChem CID:	134983947
Reduced:	N4O10H40C45 (1)
Stoich.:	A4B10C40D45 (1)
Weight, g/mol:	310.091334
ΔH_f, kcal/mol:	-238.0
Dipole, Da:	7.85
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(2-ethoxy-2-oxoethyl)iminohydrazinyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CN(CCCCCCN1C=C(N=N1)COC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)O)C6=CC=CC=C6C(=O)O4)C7=C(C8=C(C=C7O)OC(CC8=O)C9=CC=C(C=C9)O)O

DOS

IR

Vibrations