Geometry & MOs

Info

ID:	232105
PubChem CID:	87575533
Reduced:	SO2N4C24H34 (1)
Stoich.:	AB2C4D24E34 (1)
Weight, g/mol:	229.99424
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	3.47
IP(EA), eV:	-6.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-bromoprop-1-enyl]cyclopent-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOCCCCCC3C4C(CS3)NC(=O)N4

DOS

IR

Vibrations