Geometry & MOs

Info

ID:	194771
PubChem CID:	78587903
Reduced:	INO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	4.36
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-4-nitroanilino)-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NC1=CC=CC=C1I

DOS

IR

Vibrations