Geometry & MOs

Info

ID:	167162
PubChem CID:	74789311
Reduced:	BFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	210.086764
ΔH_f, kcal/mol:	-172.96
Dipole, Da:	4.65
IP(EA), eV:	-9.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC(=CC=C2)F

DOS

IR

Vibrations