Geometry & MOs

Info

ID:	387905
PubChem CID:	134987351
Reduced:	ClNC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-19.66
Dipole, Da:	3.34
IP(EA), eV:	-8.12(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-oxo-5-phenylsulfanylhept-5-enenitrile

Drug info:

PubChemData

Smile

CCN(CC)C(=C(Cl)Cl)N(CC)CC

DOS

IR

Vibrations