Geometry & MOs

Info

ID:	179600
PubChem CID:	76508654
Reduced:	BrN3O9C24H26 (1)
Stoich.:	AB3C9D24E26 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-337.61
Dipole, Da:	7.31
IP(EA), eV:	-9.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-pentylcyclopent-2-en-1-yl)hexa-3,4-dienoic acid

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)C(=C(C=C4)NC(=O)C(CO)Br)O

DOS

IR

Vibrations