Geometry & MOs

Info

ID:	404544
PubChem CID:	135066703
Reduced:	NO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	226.209679
ΔH_f, kcal/mol:	6.53
Dipole, Da:	13.45
IP(EA), eV:	-7.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-2-fluoropropyl)cyclohexane

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=C2C=CNC(=C2)C3=CC=C(C=C3)O

DOS

IR

Vibrations