Geometry & MOs

Info

ID:	437079
PubChem CID:	135214588
Reduced:	NC13H18 (2)
Stoich.:	AB13C18 (2)
Weight, g/mol:	249.98407
ΔH_f, kcal/mol:	8.11
Dipole, Da:	2.98
IP(EA), eV:	-8.31(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-3-bromo-2-ethyl-5,6-dihydroxyhexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCCC2=C(C1)C=CC(=C2)C3CCC4=CC=CC=C4N(C3)C(C)C

DOS

IR

Vibrations