Geometry & MOs

Info

ID:	295029
PubChem CID:	117512208
Reduced:	BrFNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	332.123544
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	3.46
IP(EA), eV:	-9.01(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1CC2CCCNC2)Br)F)OC

DOS

IR

Vibrations