Geometry & MOs

Info

ID:	206163
PubChem CID:	80216753
Reduced:	BrFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	298.225643
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	3.32
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4,4-dimethylcyclohexyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CNC(C1=CC=C(O1)Br)C2=C(C=CC=C2F)OC

DOS

IR

Vibrations