Geometry & MOs

Info

ID:	37422
PubChem CID:	8020887
Reduced:	BrNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	4.11
IP(EA), eV:	-9.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-acetylhydrazinyl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)N[C@@H](C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations