Geometry & MOs

Info

ID:	150984
PubChem CID:	53790681
Reduced:	SO2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	343.3239
ΔH_f, kcal/mol:	41.92
Dipole, Da:	0.52
IP(EA), eV:	-9.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-heptylcyclohexyl)cyclohexyl]pent-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CSC3=NC(=CC(=O)N23)C=CC4=CN=CC=C4

DOS

IR

Vibrations