Geometry & MOs

Info

ID:	294704
PubChem CID:	117484113
Reduced:	F2N2O2C15H22 (1)
Stoich.:	A2B2C2D15E22 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-158.09
Dipole, Da:	4.89
IP(EA), eV:	-8.3(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,4-dimethylcyclohexyl)phenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC(=C(C=C2C(F)F)OC)OC)CN

DOS

IR

Vibrations