Geometry & MOs

Info

ID:	149559
PubChem CID:	53789232
Reduced:	ClSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	164.156501
ΔH_f, kcal/mol:	18.02
Dipole, Da:	5.25
IP(EA), eV:	-9.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propylidenenona-3,6-diene

Drug info:

PubChemData

Smile

CCCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])SC

DOS

IR

Vibrations