Geometry & MOs

Info

ID:	315060
PubChem CID:	126624307
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	178.031606
ΔH_f, kcal/mol:	-32.76
Dipole, Da:	3.63
IP(EA), eV:	-8.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-1,6-dichloro-2,5-dimethylhexa-2,4-diene

Drug info:

PubChemData

Smile

CC(C)C(C)NCCC1=CNC2=C1C=C(C=C2)O

DOS

IR

Vibrations