Geometry & MOs

Info

ID:	406984
PubChem CID:	135079075
Reduced:	BrNO2F3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	329.04267
ΔH_f, kcal/mol:	-238.59
Dipole, Da:	4.09
IP(EA), eV:	-9.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate

Drug info:

PubChemData

Smile

COC(=O)N(C1CCCCC1)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations