Geometry & MOs

Info

ID:	390673
PubChem CID:	135000300
Reduced:	SN2O8C19H24 (1)
Stoich.:	AB2C8D19E24 (1)
Weight, g/mol:	172.125201
ΔH_f, kcal/mol:	-212.0
Dipole, Da:	6.51
IP(EA), eV:	-9.54(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5E)-hepta-3,5-dienyl]benzene

Drug info:

PubChemData

Smile

COC(=O)C1(CCN(CCC/C=C\C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations