Geometry & MOs

Info

ID:	216353
PubChem CID:	85086087
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	3.74
IP(EA), eV:	-10.18(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-5-phenylpenta-2,4-dienylidene)propanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)C1C=C(C(=O)N=C1C)Br

DOS

IR

Vibrations