Geometry & MOs

Info

ID:	50523
PubChem CID:	12013067
Reduced:	SN2O2Cl3C16H25 (2)
Stoich.:	AB2C2D3E16F25 (2)
Weight, g/mol:	188.156501
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	9.15
IP(EA), eV:	-9.42(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-hept-1-enyl]-2-methylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCCCS/C(=C(/[N+](=O)[O-])\C(=C(Cl)Cl)Cl)/N1CCN(CC1)/C(=C(\[N+](=O)[O-])/C(=C(Cl)Cl)Cl)/SCCCCCCCCCC

DOS

IR

Vibrations