Geometry & MOs

Info

ID:	149769
PubChem CID:	53789445
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	389.251878
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	0.99
IP(EA), eV:	-9.59(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(8-fluorooct-7-enyl)cyclohexyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCCC(C=CC1=NC(=CC=C1)C2CO2)O

DOS

IR

Vibrations