Geometry & MOs

Info

ID:	147974
PubChem CID:	53787635
Reduced:	NC8H15 (1)
Stoich.:	AB8C15 (1)
Weight, g/mol:	429.266779
ΔH_f, kcal/mol:	7.2
Dipole, Da:	2.81
IP(EA), eV:	-9.68(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) 4-[4-(4-pentylcyclohexyl)but-3-enyl]benzoate

Drug info:

PubChemData

Smile

CCCCC=CCC=N

DOS

IR

Vibrations