Geometry & MOs

Info

ID:	146898
PubChem CID:	53768703
Reduced:	SN2F3O4H19C24 (1)
Stoich.:	AB2C3D4E19F24 (1)
Weight, g/mol:	395.3552
ΔH_f, kcal/mol:	-244.14
Dipole, Da:	3.13
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]hepta-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)C(F)(F)F)CCC(=O)C3=CC=C(C=C3)CC4=C(NC(=O)S4)O

DOS

IR

Vibrations