Geometry & MOs

Info

ID:	220457
PubChem CID:	85195423
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	218.097666
ΔH_f, kcal/mol:	18.06
Dipole, Da:	2.83
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylocta-4,6-dienyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CCCC(C1C=CC(=C[N+]#N)[O-])(C)C

DOS

IR

Vibrations