Geometry & MOs

Info

ID:	257857
PubChem CID:	103148836
Reduced:	BrNOF3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	235.174771
ΔH_f, kcal/mol:	-181.06
Dipole, Da:	2.06
IP(EA), eV:	-9.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Br)CC(CCOCC(F)F)N

DOS

IR

Vibrations