Geometry & MOs

Info

ID:	149816
PubChem CID:	53789493
Reduced:	CS2N3H5 (1)
Stoich.:	AB2C3D5 (1)
Weight, g/mol:	342.292266
ΔH_f, kcal/mol:	20.8
Dipole, Da:	3.33
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-4-[6-(4-ethoxycyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane

Drug info:

PubChemData

Smile

C(=NSS)(N)N

DOS

IR

Vibrations